SCHEMBL6478554

SCHEMBL6478554

FC(F)(F)c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.48
DHODH Q02127 1/20 0.47
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLA1 P09884 1/20 0.41
ALOX5 P09917 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
EPHX2 P34913 3/20 0.39
GALR2 O43603 1/20 0.39

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
SCHEMBL16442365 0.84 MAPT (0.56) SMN1; SMN2POLBMAPT
SCHEMBL1844423 0.80 AGPAT2 (0.53) AGPAT2DHODHABL1BCRGAA
SCHEMBL6033501 0.80 AGPAT2 (0.44) AGPAT2DHODHABL1BCRGAA
SCHEMBL13950754 0.80 MAPT (0.50) AGPAT2DHODHABL1BCRGAA
SCHEMBL11001901 0.77 DHODH (0.50) AGPAT2DHODHABL1BCRGAA
SCHEMBL16540893 0.77 APP (0.51) AGPAT2DHODHALOX5KCNH2SCN9A
SCHEMBL16739646 0.77 AGPAT2 (0.47) AGPAT2DHODHABL1BCRGAA
SCHEMBL13927351 0.76 AGPAT2 (0.45) AGPAT2DHODHABL1BCRGAA
SCHEMBL2285824 0.76 ABL1 (0.61) AGPAT2DHODHABL1BCREPHX2
SCHEMBL16739576 0.75 AGPAT2 (0.46) AGPAT2DHODHMAPTEPHX2

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 1 patent. 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

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 AGPAT2 3746/4885DHODH 3804/4885ABL1 989/4885

“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.