SCHEMBL1340967

SCHEMBL1340967

COC(=O)c1cccnc1S

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 5/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL27457033 0.89 TDP1 (0.54) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL812065 0.81 KDM4E (0.59) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL28555960 0.81 POLB (0.44) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL8306266 0.81 TSHR (0.59) L3MBTL1TSHRALDH1A1HSD17B10HTT
SCHEMBL28558153 0.81 MAPT (0.49) KDM4EPOLBL3MBTL1LMNAALDH1A1
SCHEMBL31185958 0.79 KDM4E (0.57) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL29416324 0.79 L3MBTL1 (0.62) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL162558 0.79 TDP1 (0.57) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL1248162 0.79 P2RX7 (0.66) MAP2K1TDP1KDM4EPOLBL3MBTL1
SCHEMBL107721 0.79 KDM4E (0.57) MAP2K1TDP1KDM4EPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP claimed
CN-119775202-A Synthesis method of 2-mercaptonicotinoyl glycine 河南旭瑞新材料科技有限公司 2025-04-08 CN disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
EP-0710661-A1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-08 EP disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed
EP-0388994-B1 Substituted pyridinesulfonamide compounds, herbicidal composition containing them, and method of preparing these compounds ISHIHARA SANGYO KAISHA (JP) 1994-10-05 EP disclosed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed
EP-0388994-A1 Substituted pyridinesulfonamide compounds, herbicidal composition containing them, and method of preparing these compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-09-26 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0232067-A2 Substituted pyridinesulfonamide compounds, herbicidal composition containing them, and method of preparing these compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1987-08-12 EP disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP 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 (3 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAP2K1 4196/4885TDP1 4511/4885KDM4E 4323/4885
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAP2K1 4495/4885TDP1 1513/4885KDM4E 4507/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MAP2K1 4196/4885TDP1 4511/4885KDM4E 4323/4885

“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.