SCHEMBL419102

SCHEMBL419102

COC(=O)c1cc(OC)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL561284 0.88 HTT (0.64) ALOX5HTTSMN1; SMN2GAAMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.88 SMN1; SMN2 (0.60) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL15171158 0.87 ALOX5 (0.49) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL16177702 0.86 HTT (0.50) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL1099548 0.85 MEN1 (0.55) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL31191372 0.85 ALDH1A1 (0.53) ALOX5HTTSMN1; SMN2MEN1KMT2A
SCHEMBL2367158 0.84 NPC1 (0.68) ALOX5HTTSMN1; SMN2MEN1KMT2A
SCHEMBL16245017 0.84 KMT2A (0.54) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL27893481 0.84 HTT (0.52) ALOX5HTTSMN1; SMN2GAAMEN1
SCHEMBL2664523 0.84 GAA (0.55) ALOX5HTTSMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720034-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS Zydus Lifesciences Limited (IN) 2026-04-08 EP disclosed
WO-2024252254-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-12-12 WO disclosed
CN-118510770-A Fused heteroaryl hydroxamic acids as STING agonists 比西切姆有限公司 2024-08-16 CN disclosed
CN-112789087-B Benzimidazole inhibitors of PAD enzymes 百时美施贵宝公司 2024-08-13 CN disclosed
CN-111108105-B Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-31 CN disclosed
CN-115298175-A Macrocyclic PAD4 inhibitors useful as immunosuppressants 百时美施贵宝公司 2022-11-04 CN disclosed
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 EP disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 EP disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO 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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 ALOX5 4743/4885HTT 733/4885SMN1; SMN2 4002/4885
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 ALOX5 1653/4885HTT 3793/4885SMN1; SMN2 4666/4885

“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.