SCHEMBL6480868

SCHEMBL6480868

Nc1ccccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HPGD P15428 4/20 0.69
ALDH1A1 P00352 3/20 0.69
NFKB1 P19838 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
BCHE P06276 1/20 0.61
MAPT P10636 3/20 0.59
HSD17B10 Q99714 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2E1 P05181 1/20 0.57

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
Bromide SCHEMBL10768702 0.98 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6474677 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6480538 0.84 ATP4A (0.57) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6475988 0.84 HPGD (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6482715 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6475390 0.84 RAB9A (0.50) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6480347 0.84 HPGD (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Water SCHEMBL6475896 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6475945 0.82 ATP4A (0.56) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Water SCHEMBL6475900 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61060660-A None JP disclosed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
US-5869513-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1999-02-09 US disclosed
EP-0204215-B1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1993-08-11 EP disclosed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0213474-A2 Substituted toluidines, process for their preparation, pharmaceutical compositions containing them and their use as gastric secretion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-11 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP disclosed
JP-S6160660-A BENZIMIDAZOLE DERIVATIVE, ITS PREPARATION, AND ANTITUMOR AGENT CONTAINING IT NIPPON CHEMIPHAR CO LTD 1986-03-28 JP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 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 (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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 NPC1 363/4885RAB9A 486/4885SMN1; SMN2 4616/4885

“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.