SCHEMBL6474848

SCHEMBL6474848

COc1ccc2[nH]c([S+]([O-])Cc3cccc(N)n3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
CYP2C19 P33261 7/20 0.37
CYP1A2 P05177 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 5/20 0.37
TP53 P04637 4/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 3/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
NCF1 P14598 1/20 0.36
CYP2E1 P05181 6/20 0.36
CYP2C8 P10632 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2B6 P20813 6/20 0.36

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
SCHEMBL6481716 0.89 CYP3A4 (0.39) CYP2C19CYP1A2MEN1KMT2AALDH1A1
SCHEMBL6475517 0.85 PDE10A (0.39) BACE1NOS3NOS1NQO2
SCHEMBL6475508 0.85 NOS2 (0.35) BACE1CYP2C19CYP1A2MEN1KMT2A
Water SCHEMBL6475151 0.84 PDE10A (0.39) BACE1NOS3NOS1NQO2
SCHEMBL6440949 0.83 CYP1A2 (0.48) CYP2C19CYP1A2MEN1KMT2AALDH1A1
SCHEMBL6476737 0.83 BACE1 (0.35) BACE1ATP4AATP4BLOXL2
SCHEMBL6474148 0.82 ATP4A (0.47) CYP2C19CYP1A2MEN1KMT2AALDH1A1
SCHEMBL6476047 0.81 FABP6 (0.42) BACE1MEN1KMT2AMAPTNPC1
SCHEMBL6483304 0.81 BACE1 (0.36) BACE1NOS3NOS1
SCHEMBL6474955 0.81 ALDH1A1 (0.41) CYP2C19CYP1A2MEN1KMT2AALDH1A1

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 6 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
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US 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

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 BACE1 4621/4885CYP2C19 1190/4885CYP1A2 2281/4885

“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.