SCHEMBL6485274

SCHEMBL6485274

c1cnc(SCc2nc3ccccc3[nH]2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 8/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 2/20 0.57
HSD17B10 Q99714 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 2/20 0.56
MAPK1 P28482 1/20 0.55

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
SCHEMBL600508 0.84 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9667165 0.80 RAB9A (0.68) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL3429462 0.80 SMN1; SMN2 (1.00) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL9665950 0.80 RAB9A (0.63) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL3079520 0.79 SMN1; SMN2 (0.83) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL3065316 0.79 SMN1; SMN2 (0.69) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL21777592 0.79 RAB9A (0.76) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL3789333 0.79 SMN1; SMN2 (1.00) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL26762334 0.77 RAB9A (0.59) NPC1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL11130494 0.76 NPC1 (0.65) NPC1RAB9ALMNASMN1; SMN2CYP1A2

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
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP claimed
EP-0234980-A1 2-Benzimidazolylalkylthio (or sulfinyl or sulfonyl) derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-09-02 EP claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP disclosed
US-4791114-A GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; CYTOPROTECTIVE AGENTS 501 Laboratorios Del, Dr. Esteve (ES) 1988-12-13 US disclosed
EP-0234980-A1 2-Benzimidazolylalkylthio (or sulfinyl or sulfonyl) derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-09-02 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 486/4885LMNA 2278/4885

“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.