SCHEMBL6479400

SCHEMBL6479400

FC(F)(F)c1ccc(Nc2cnnc(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ KCNQ1 P51787 2/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ EGFR P00533 1/20 0.38

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
SCHEMBL31750350 0.80 HDAC3 (0.44) ALOX5EGFR
SCHEMBL11823603 0.78 DHODH (0.42) SCN9ACHRNB4CHRNA3DHODHEPHX2
SCHEMBL4717600 0.75 KIF11 (0.47) RAB9ASCN5AALDH1A1
SCHEMBL11819244 0.74 JUN (0.41) KCNQ3KCNQ2KCNQ1KCNE1DHODH
SCHEMBL394422 0.74 EPHX2 (0.56) DHODHEPHX2MEN1KMT2ARAB9A
SCHEMBL1921455 0.74 EPHX2 (0.56) DHODHEPHX2MEN1KMT2ARAB9A
SCHEMBL1692045 0.73 ALDH1A1 (0.41) RAB9ATDP1ALDH1A1
SCHEMBL29536855 0.73 ALDH1A1 (0.41) RAB9ATDP1ALDH1A1
SCHEMBL29552018 0.72 GSK3B (0.45) SCN9AEGFR
SCHEMBL30748938 0.72 SCN9A (0.59) KCNQ3KCNQ2KCNQ1SCN9AKCNE1

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 KCNQ3 105/4885KCNQ2 218/4885KCNQ1 166/4885

“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.

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