SCHEMBL12538599

SCHEMBL12538599

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.49
▸ KMO O15229 2/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ TRPV3 Q8NET8 1/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ XDH P47989 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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 0.87 TRPV3 (0.43) CTSSKMOTRPV3KDM1AMAOB
SCHEMBL12537997 0.82 KMO (0.46) KMOIDO1TRPV3MAOBKDM4E
SCHEMBL12538464 0.82 TRPV3 (0.45) TRPV3MAOB
SCHEMBL12538423 0.81 KMO (0.44) KMOIDO1TRPV3MAOBCYP3A4
SCHEMBL12538473 0.80 TRPV3 (0.49) CTSSTRPV3XDHADORA2AADORA1
SCHEMBL1549312 0.78 KDM1A (0.56) CTSSKMOIDO1KDM1AXDH
SCHEMBL2304614 0.78 CTSS (0.56) CTSSKMOIDO1KDM1AXDH
SCHEMBL3751766 0.76 KDM1A (0.56) CTSSKMOIDO1KDM1AXDH
SCHEMBL7444196 0.74 CTSS (0.46) CTSSKMOIDO1KDM1AXDH
SCHEMBL13854087 0.73 CTSS (0.58) CTSSKMOIDO1KDM1AXDH

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 CTSS 3783/4885KMO 2505/4885IDO1 1407/4885

“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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