SCHEMBL6252004

SCHEMBL6252004

O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA13 Q8N1Q1 2/20 0.65
PRMT1 Q99873 5/20 0.49
TRPV1 Q8NER1 4/20 0.44
CNR1 P21554 1/20 0.44
EGFR P00533 2/20 0.43
FLT3 P36888 1/20 0.42
CARM1 Q86X55 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
KIT P10721 1/20 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
SCHEMBL4927860 0.82 CA1 (0.69) CA1CA2CA7CA13PRMT1
SCHEMBL1292933 0.79 CA1 (1.00) CA1CA2CA7CA13PRMT1
SCHEMBL27226032 0.79 CA1 (0.65) CA1CA2CA7CA13PRMT1
SCHEMBL1292932 0.79 CA1 (0.65) CA1CA2CA7CA13PRMT1
SCHEMBL1254095 0.79 CA1 (0.77) CA1CA2CA7CA13PRMT1
SCHEMBL1244815 0.79 CA1 (0.65) CA1CA2CA7CA13PRMT1
SCHEMBL17815580 0.78 CA1 (0.64) CA1CA2CA7CA13PRMT1
SCHEMBL17815582 0.78 PRMT1 (0.73) CA1CA2CA7CA13PRMT1
SCHEMBL6033642 0.76 DHODH (0.56) TRPV1CNR1EGFRFLT3TTBK1
SCHEMBL769494 0.76 EGFR (0.54) TRPV1CNR1EGFRFLT3TTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047280-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 CA1 2681/4885CA2 834/4885CA7 3567/4885

“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.