SCHEMBL6997956

SCHEMBL6997956

COc1ccc(C)cc1C(=O)S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL6829957 0.86 ACHE (0.52) ACHEALDH1A1CYP3A4MAPTHTT
SCHEMBL9726812 0.83 ACHE (0.58) ACHEALDH1A1CYP3A4CTNNB1WNT3A
SCHEMBL6575927 0.82 MAPT (0.66) ALDH1A1MAPTHTTNPSR1POLB
SCHEMBL1210111 0.82 SRC (0.58) ACHEALDH1A1CYP3A4MAPTHTT
SCHEMBL30482833 0.82 SRC (0.58) ACHEALDH1A1CYP3A4MAPTHTT
SCHEMBL91954 0.82 CSNK2A1 (0.59) ACHEALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL30100430 0.82 CSNK2A1 (0.59) ACHEALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL23935477 0.80 ACHE (0.54) ACHEALDH1A1CYP3A4CTNNB1WNT3A
SCHEMBL2190365 0.80 ACHE (0.59) ACHEALDH1A1CYP3A4CTNNB1WNT3A
SCHEMBL1505444 0.80 HSP90AA1 (0.57) ACHEALDH1A1CYP3A4MAPTHTT

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 13 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
EP-0042705-A1 Azabicycloalkane derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1981-12-30 EP disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 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 ACHE 3267/4885ALDH1A1 953/4885CYP3A4 487/4885

“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.