SCHEMBL18525704

SCHEMBL18525704

CSc1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CYP2A6 P11509 2/20 0.44
FLT3 P36888 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TYR P14679 1/20 0.42
DAO P14920 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 6/20 0.42
MAOA P21397 3/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
NT5E P21589 1/20 0.42

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
SCHEMBL28018198 0.82 CYP2A6 (0.47) ALDH1A1MAPTKDM4ECYP2A6FLT3
SCHEMBL24894303 0.78 FLT3 (0.48) ALDH1A1MAPTKDM4ECYP2A6FLT3
SCHEMBL22766223 0.78 KDM4E (0.44) ALDH1A1KDM4ECYP2A6FLT3LOXL2
SCHEMBL18290416 0.78 KDM4E (0.48) ALDH1A1KDM4ECYP2A6FLT3LOXL2
SCHEMBL18290408 0.78 KDM4E (0.42) ALDH1A1MAPTKDM4ECYP2A6FLT3
SCHEMBL31495889 0.74 CCR2 (0.42) ALDH1A1KDM4ECYP2A6FLT3LOXL2
SCHEMBL2855182 0.74 CYP2A6 (0.44) ALDH1A1KDM4ECYP2A6FLT3LOXL2
SCHEMBL28244703 0.74 LOXL2 (0.41) ALDH1A1KDM4ECYP2A6FLT3LOXL2
SCHEMBL28092907 0.72 MAOB (0.51) ALDH1A1KDM4EFLT3LOXL2SMN1; SMN2
SCHEMBL3281749 0.72 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHSD17B10HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UNIV TUFTS (US) 2023-01-19 US disclosed
US-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10669280-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2020-06-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
CN-108658908-A 1,3- bis- substitution ketene compounds and its application 广州必贝特医药技术有限公司 2018-10-16 CN disclosed
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME EA PHARMA CO., LTD. (JP) 2018-06-14 US disclosed
US-20170044373-A1 CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS NITTO DENKO CORPORATION (JP) 2017-02-16 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 (6 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-10669280-B2 Coelenterazine analogues GLB1, SI, TCF7L2 ALDH1A1 3541/4885MAPT 4859/4885KDM4E 3302/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPT 4169/4885KDM4E 4215/4885
US-20180162844-A1 CYCLOPROPANE DERIVATIVE AND DRUG CONTAINING SAME TRPA1, TRPV1, TRPV2 ALDH1A1 545/4885MAPT 1289/4885KDM4E 4546/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPT 4169/4885KDM4E 4215/4885
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UMPS, UPP1, UGDH ALDH1A1 1514/4885MAPT 56/4885KDM4E 4085/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN ALDH1A1 218/4885MAPT 1353/4885KDM4E 1805/4885

“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.