SCHEMBL1471492

SCHEMBL1471492

O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
RECQL P46063 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 6/20 0.58
LMNA P02545 4/20 0.58
GAA P10253 1/20 0.58
HTT P42858 3/20 0.55
MAPK1 P28482 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6363863 0.94 SMN1; SMN2 (0.58) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL15225951 0.92 SMN1; SMN2 (0.71) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL20271516 0.90 SMN1; SMN2 (0.73) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL5723140 0.87 SMN1; SMN2 (0.68) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
Bicarbonate SCHEMBL15226074 0.86 SMN1; SMN2 (0.63) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL28045965 0.84 KDM4E (0.61) SMN1; SMN2RECQLKDM4EALDH1A1HTT
SCHEMBL13478276 0.82 LMNA (0.59) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL11253764 0.82 SMN1; SMN2 (0.65) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL30221947 0.80 MEN1 (0.59) SMN1; SMN2RECQLKDM4EALDH1A1LMNA
SCHEMBL23093557 0.77 CA1 (0.54) SMN1; SMN2RECQLKDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US claimed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-11554106-B2 Prevention of the risks associated with drug-induced QT interval prolongation by using a specific inhibitor of the production of ROS of miochondrial origin CHILDS, MARC (FR) 2023-01-17 US disclosed
US-11484529-B2 Desmethylanethole trithione derivatives for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production OP2 Drugs (FR) 2022-11-01 US disclosed
US-11400073-B2 Prevention and treatment of benign prostatic hyperplasia using a selective inhibitor of the production of reactive oxygen species of mitochondrial origin Petitjean, Olivier (FR) 2022-08-02 US disclosed
US-11318113-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production OP2 Drugs (FR) 2022-05-03 US disclosed
CN-108348781-B Compounds for the treatment of diseases associated with the production of mitochondrial Reactive Oxygen Species (ROS) OP2药品公司 2022-02-11 CN disclosed
US-20210154175-A1 DESMETHYLANETHOLE TRITHIONE DERIVATIVES FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION OP2 Drugs (FR) 2021-05-27 US disclosed
US-20210052549-A1 PREVENTION OF THE RISKS ASSOCIATED WITH DRUG-INDUCED QT INTERVAL PROLONGATION BY USING A SPECIFIC INHIBITOR OF THE PRODUCTION OF ROS OF MIOCHONDRIAL ORIGIN CHILDS MARC (FR) 2021-02-25 US disclosed
US-20200289461-A1 PREVENTION AND TREATMENT OF BENIGN PROSTATIC HYPERPLASIA USING A SELECTIVE INHIBITOR OF THE PRODUCTION OF REACTIVE OXYGEN SPECIES OF MITOCHONDRIAL ORIGIN PETITJEAN OLIVIER (FR) 2020-09-17 US disclosed
US-20180256540-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION UNIVERSITÉ DE BORDEAUX (FR) 2018-09-13 US disclosed
WO-2018162581-A1 DESMETHYLANETHOLE TRITHIONE DERIVATIVES FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION OP2 Drugs (FR) 2018-09-13 WO disclosed
EP-3347100-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION OP2 DRUGS (FR) 2018-07-18 EP disclosed
WO-2017042267-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION ORPHAN PARTNERS 2 (FR) 2017-03-16 WO disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-4337274-A Flukicidal compounds BURROUGHS WELLCOME CO. (US) 1982-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210154175-A1 DESMETHYLANETHOLE TRITHIONE DERIVATIVES FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION TXN2, ROS1, ERAL1 SMN1; SMN2 710/4885RECQL 807/4885KDM4E 4330/4885
US-20180256540-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES LINKED TO MITOCHONDRIAL REACTIVE OXYGEN SPECIES (ROS) PRODUCTION FH, TXNRD2, TXN2 SMN1; SMN2 245/4885RECQL 761/4885KDM4E 4549/4885
US-20210052549-A1 PREVENTION OF THE RISKS ASSOCIATED WITH DRUG-INDUCED QT INTERVAL PROLONGATION BY USING A SPECIFIC INHIBITOR OF THE PRODUCTION OF ROS OF MIOCHONDRIAL ORIGIN TXN2, ABAT, ACAT1 SMN1; SMN2 2878/4885RECQL 598/4885KDM4E 2809/4885
US-20200289461-A1 PREVENTION AND TREATMENT OF BENIGN PROSTATIC HYPERPLASIA USING A SELECTIVE INHIBITOR OF THE PRODUCTION OF REACTIVE OXYGEN SPECIES OF MITOCHONDRIAL ORIGIN MDH2, TXNRD2, SQOR SMN1; SMN2 4698/4885RECQL 934/4885KDM4E 4304/4885
US-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A SMN1; SMN2 3336/4885RECQL 1757/4885KDM4E 463/4885
US-11400073-B2 Prevention and treatment of benign prostatic hyperplasia using a selective inhibitor of the production of reactive oxygen species of mitochondrial origin MDH2, TXNRD2, SQOR SMN1; SMN2 4698/4885RECQL 934/4885KDM4E 4304/4885
US-11318113-B2 Compounds for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production FH, TXNRD2, TXN2 SMN1; SMN2 245/4885RECQL 761/4885KDM4E 4549/4885
US-11554106-B2 Prevention of the risks associated with drug-induced QT interval prolongation by using a specific inhibitor of the production of ROS of miochondrial origin TXN2, ABAT, ACAT1 SMN1; SMN2 2878/4885RECQL 598/4885KDM4E 2809/4885
US-11484529-B2 Desmethylanethole trithione derivatives for the treatment of diseases linked to mitochondrial reactive oxygen species (ROS) production TXN2, ROS1, ERAL1 SMN1; SMN2 710/4885RECQL 807/4885KDM4E 4330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.