SCHEMBL6476176

SCHEMBL6476176

Nc1cccc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
CYP1A2 P05177 5/20 0.45
CYP2E1 P05181 5/20 0.45
CYP2C8 P10632 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2B6 P20813 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP3A4 P08684 4/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KLK7 P49862 1/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NFKB1 P19838 2/20 0.41

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
SCHEMBL6475758 0.81 CYP1A2 (0.47) SCN9ACYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL6482003 0.81 CYP1A2 (0.56) SCN9ACYP1A2CYP2E1CYP2C8CYP2D6
Water SCHEMBL6531942 0.81 CYP1A2 (0.55) SCN9ACYP1A2CYP2E1CYP2C8CYP2D6
Water SCHEMBL6531940 0.81 CYP1A2 (0.55) SCN9ACYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL6474844 0.80 CYP1A2 (0.46) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6475870 0.79 CYP1A2 (0.68) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6475037 0.79 CYP2E1 (0.58) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Water SCHEMBL6481699 0.78 CYP1A2 (0.66) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Water SCHEMBL6481701 0.78 CYP1A2 (0.66) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6476770 0.78 HRH4 (0.51) 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 4 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
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US 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 SCN9A 102/4885CYP1A2 2281/4885CYP2E1 691/4885

“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.