SCHEMBL12538464

SCHEMBL12538464

O=Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 14/20 0.45
▸ LTA4H P09960 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ GSTO1 P78417 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL12539005 0.86 TRPV3 (0.43) TRPV3KIF11MAOB
SCHEMBL12538116 0.83 RAB9A (0.40) TRPV3MAOB
SCHEMBL12538599 0.82 CTSS (0.49) TRPV3MAOB
SCHEMBL12537989 0.80 TRPV3 (0.50) TRPV3
SCHEMBL12538147 0.80 TRPV3 (0.46) TRPV3MAOB
SCHEMBL20209738 0.77 TRPV3 (0.38) TRPV3LTA4HKIF11MAOB
SCHEMBL12538059 0.75 TRPV3 (0.44) TRPV3KIF11
SCHEMBL12538047 0.75 TRPV3 (0.51) TRPV3
SCHEMBL1549511 0.74 RAD51 (0.41) TRPV3LTA4HKIF11GSTO1
SCHEMBL12537708 0.73 TRPV3 (0.40) TRPV3MAOB

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
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 — — WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 — — 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-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 TRPV3 1/4885LTA4H 679/4885KIF11 4349/4885

“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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