SCHEMBL12537997

SCHEMBL12537997

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.46
▸ IDO1 P14902 2/20 0.45
▸ MAP4K4 O95819 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TRPV3 Q8NET8 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL12538423 0.86 KMO (0.44) KMOIDO1MAP4K4TRPV3MAOB
SCHEMBL12538599 0.82 CTSS (0.49) KMOIDO1KDM4EMEN1KMT2A
SCHEMBL12538116 0.80 RAB9A (0.40) KDM4EMEN1MAPTKMT2ATRPV3
SCHEMBL12538473 0.79 TRPV3 (0.49) MAPTTRPV3
SCHEMBL12538114 0.78 TRPV3 (0.53) MAP4K4KDM4ETRPV3ALDH1A1
SCHEMBL12615570 0.77 TRPV3 (0.83) TRPV3
SCHEMBL12537708 0.77 TRPV3 (0.40) KMOKDM4ETRPV3MAOBALDH1A1
SCHEMBL12538500 0.76 TRPV3 (0.43) KMOKDM4EMAPTTRPV3ALDH1A1
SCHEMBL25392607 0.75 KMO (0.38) KMOIDO1MAP4K4KDM4EMAPT
SCHEMBL31282190 0.75 KMO (0.38) KMOIDO1MAP4K4KDM4EMAPT

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 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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