SCHEMBL12538423

SCHEMBL12538423

O=Cc1nc(-c2cccc(Cl)c2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MAP4K4 O95819 3/20 0.43
▸ TRPV3 Q8NET8 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ MAOB P27338 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL12537997 0.86 KMO (0.46) KMOIDO1MAP4K4TRPV3MAOB
SCHEMBL12537708 0.85 TRPV3 (0.40) KMOTRPV3MAOBMAPK13
SCHEMBL12538500 0.81 TRPV3 (0.43) KMOTRPV3
SCHEMBL12538599 0.81 CTSS (0.49) KMOIDO1TRPV3MAOBCYP3A4
SCHEMBL12615486 0.78 TRPV3 (0.83) TRPV3
SCHEMBL12538473 0.77 TRPV3 (0.49) TRPV3CLK2DYRK1A
SCHEMBL12538114 0.76 TRPV3 (0.53) MAP4K4TRPV3PIM1PIM3
SCHEMBL12538116 0.75 RAB9A (0.40) TRPV3MAOB
SCHEMBL25392607 0.74 KMO (0.38) KMOIDO1MAP4K4TRPV3
SCHEMBL31282190 0.74 KMO (0.38) KMOIDO1MAP4K4TRPV3

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 KMO 2505/4885IDO1 1407/4885MAP4K4 2029/4885

“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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