SCHEMBL6485273

SCHEMBL6485273

COc1ccc2[nH]c(SCc3cccc(C)c3N)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP2E1 P05181 11/20 0.51
CYP2C8 P10632 11/20 0.51
CYP2D6 P10635 11/20 0.51
CYP2C9 P11712 11/20 0.51
CYP2B6 P20813 11/20 0.51
CYP2C19 P33261 11/20 0.51
ATP4A P20648 1/20 0.51
ATP4B P51164 1/20 0.51
CYP1A2 P05177 10/20 0.50
CYP3A4 P08684 10/20 0.50
MEN1 O00255 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6475400 0.85 CYP2E1 (0.57) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6484650 0.82 NPC1 (0.61) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6475837 0.81 CYP2E1 (0.57) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6475037 0.81 CYP2E1 (0.58) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693614 0.81 SMN1; SMN2 (0.67) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL15693621 0.79 NPC1 (0.81) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL10711880 0.79 CYP2E1 (0.55) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10701069 0.78 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL15693618 0.78 NPC1 (0.69) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL10703251 0.78 CYP2E1 (0.52) HTTSMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0204215-B1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1993-08-11 EP disclosed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 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 HTT 635/4885SMN1; SMN2 4616/4885NPC1 363/4885

“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.