SCHEMBL6483161

SCHEMBL6483161

c1ccc(CSc2nc3cc4ccccc4cc3[nH]2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.72
CYP2E1 P05181 8/20 0.72
CYP2C8 P10632 8/20 0.72
CYP2D6 P10635 8/20 0.72
CYP2C9 P11712 8/20 0.72
CYP2B6 P20813 8/20 0.72
CYP2C19 P33261 8/20 0.72
CYP3A4 P08684 7/20 0.70
NOS2 P35228 3/20 0.54
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
KLK7 P49862 1/20 0.51

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
SCHEMBL11464707 0.84 CYP2E1 (0.65) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL599673 0.84 CYP1A2 (1.00) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL11356105 0.83 CYP1A2 (0.64) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10997125 0.83 CYP1A2 (0.64) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Water SCHEMBL4488115 0.83 CYP1A2 (0.97) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11687988 0.83 CYP1A2 (0.97) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL7850535 0.83 CYP1A2 (0.71) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL11684920 0.83 CYP2E1 (0.73) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL7851440 0.82 CYP2E1 (0.83) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10842961 0.82 CYP1A2 (0.63) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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 11 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
EP-0001279-B1 IMIDAZOLE DERIVATIVES THEIR SYNTHESIS AND THEIR PHARMACEUTICAL FORMULATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-30 EP claimed
EP-0001279-A1 Imidazole derivatives their synthesis and their pharmaceutical formulations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-04-04 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0001279-B1 IMIDAZOLE DERIVATIVES THEIR SYNTHESIS AND THEIR PHARMACEUTICAL FORMULATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-30 EP disclosed
US-4248880-A IMIDAZOLE OR THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1981-02-03 US disclosed
US-4182766-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-01-08 US disclosed
EP-0001279-A1 Imidazole derivatives their synthesis and their pharmaceutical formulations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-04-04 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 CYP1A2 2281/4885CYP2E1 691/4885CYP2C8 976/4885

“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.