SCHEMBL12538059

SCHEMBL12538059

O=Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 3/20 0.44
▸ HDAC1 Q13547 2/20 0.39
▸ S1PR1 P21453 6/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ S1PR3 Q99500 2/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL12538714 0.76 TRPV3 (0.50) TRPV3S1PR1KIF11LMNATHRB
SCHEMBL3542039 0.76 KIF11 (0.42) TRPV3HDAC1S1PR1KIF11S1PR3
SCHEMBL12538464 0.75 TRPV3 (0.45) TRPV3KIF11
SCHEMBL12151205 0.72 ALDH1A1 (0.47) TRPV3S1PR1KIF11S1PR3
SCHEMBL1549224 0.71 MCHR1 (0.40) TRPV3S1PR1LMNA
SCHEMBL28132419 0.69 KMT2A (0.37) HDAC1FOSJUNNFKB1NFKB2
SCHEMBL30862210 0.68 KIF11 (0.58) S1PR1KIF11S1PR3LMNATHRB
SCHEMBL767037 0.68 DPP4 (0.48) TRPV3S1PR1KIF11LMNATHRB
SCHEMBL5204620 0.68 LMNA (0.45) TRPV3S1PR1KIF11LMNATHRB
SCHEMBL12613371 0.67 SRD5A2 (0.52) HDAC1KIF11HDAC3HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 — — US disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 — — US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 — — 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-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 TRPV3 1/4885HDAC1 1535/4885S1PR1 445/4885

“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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