SCHEMBL6992085

SCHEMBL6992085

COc1ccc(NS(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
FABP4 P15090 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.49
POLB P06746 2/20 0.48
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL7000400 0.88 CHEK1 (0.56) ALDH1A1MAPK1MEN1KMT2AGAA
SCHEMBL5359155 0.88 ALDH1A1 (0.53) TSHRFABP4ALDH1A1MAPK1MEN1
SCHEMBL7260874 0.88 TSHR (0.54) TSHRFABP4ALDH1A1MAPK1MEN1
SCHEMBL12800015 0.80 POLB (0.51) TSHRALDH1A1KMT2APOLBFYN
SCHEMBL805216 0.80 POLB (0.51) TSHRALDH1A1KMT2APOLBFYN
SCHEMBL12017964 0.80 SMN1; SMN2 (0.67) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL14594642 0.79 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL12041039 0.79 MAPT (0.58) ALDH1A1MAPK1MEN1KMT2AGAA
SCHEMBL14880400 0.79 LMNA (0.56) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL11368920 0.79 MAPT (0.57) TSHRALDH1A1KMT2APOLBFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2003-02-19 EP disclosed
EP-0874843-B1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 EP disclosed
US-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 US disclosed
US-6211199-B1 HISTAMINE AND TACHYKININ RECEPTOR ANTAGONISTS; ANTIASTHMATICS, ANTIEMETICS; RESPIRATORY SYSTEM DISORDERS, INFLAMMATORY BOWEL DISEASE, CONJUNCTIVITIS AVENTIS PHARMACEUTICALS INC. 2001-04-03 US disclosed
US-6194406-B1 HISTAMINE RECEPTOR ANTAGONISTS; TACHYKININ RECEPTOR ANTAGONISTS; ASTHMA; BRONCHITIS; INFLAMMATORY BOWEL DISEASES, INCLUDING CROHN'S DISEASE AND ULCERATIVE COLITIS; SEASONAL RHINITIS; SINUSITIS; ANTIALLERGENS; EMETIC AGENTS AVENTIS PHARMACEUTICALS INC. 2001-02-27 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
US-4431663-A ANTIULCER AND NEUROLEPTIC AGENTS; ANTIEMETICS SHIONOGI & CO., LTD. (JP) 1984-02-14 US disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 EP disclosed
US-4351770-A Preparation of N(2-pyrrolidinylmethyl)2-methoxy-5-benzenesulfonamidobenzamides SHIONOGI & CO., LTD. (JP) 1982-09-28 US disclosed
US-4350635-A ANTIEMETICS, NEUROLEPTIC AGENTS SHIONOGI & CO., LTD. (JP) 1982-09-21 US disclosed
US-4330472-A Meta-sulfonamido-benzamide derivatives SHIONOGI & CO., LTD. (JP) 1982-05-18 US disclosed
US-4328155-A ANTIEMETIC OR PSYCHOTROPIC AGENT SHIONOGI & CO., LTD. (JP) 1982-05-04 US disclosed
US-4328344-A ANTIEMETIC SHIONOGI & CO., LTD. (JP) 1982-05-04 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 (1 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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 TSHR 667/4885FABP4 4409/4885ALDH1A1 953/4885

“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.