SCHEMBL6476394

SCHEMBL6476394

CN(C)c1ccccc1C[S+]([O-])c1nc2ccc(OCC3CC3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHEK2 O96017 5/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6476381 0.93 SLC6A2 (0.35) CHEK2SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL9395894 0.85 PRMT5 (0.46) RUNX1CYP2C9CYP1A2CYP2E1CYP3A4
SCHEMBL9396523 0.80 ATP4A (0.40) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL9677027 0.79 KDM4E (0.39) CYP1A2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL9395895 0.79 ALDH1A1 (0.41) CYP3A4HTR3AHSD17B10KDM4EALDH1A1
SCHEMBL9395788 0.79 MAPT (0.40) CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL30637598 0.78 ATP4A (0.52) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL3689535 0.78 ATP4A (0.52) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL10726467 0.77 ATP4A (0.51) CYP1A2CYP2D6CYP2C19HSD17B10KDM4E
SCHEMBL6480755 0.77 PRMT5 (0.38) CYP2C9CYP1A2CYP2E1CYP2C8CYP2D6

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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 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
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

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 RUNX1 4413/4885CYP2C9 1120/4885CYP1A2 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.