SCHEMBL893266

SCHEMBL893266

O=C(O)c1ccnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 13/20 0.47
XDH P47989 2/20 0.45
SRD5A2 P31213 1/20 0.45
SCN9A Q15858 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
ALKBH2 Q6NS38 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
FTO Q9C0B1 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL15229022 0.86 RXRA (0.51) XDHKDM4CALKBH2ALKBH5ALKBH3
SCHEMBL3725622 0.86 SCN9A (0.55) TRPV3SCN9AMAP4K4
SCHEMBL28988552 0.82 XDH (0.56) XDHSCN9AKDM2BKDM4C
SCHEMBL4895565 0.82 SRD5A2 (0.54) SRD5A2KDM2BKDM4CMAP4K4
SCHEMBL4898700 0.82 SRD5A2 (0.54) SRD5A2KDM2BKDM4CMAP4K4
SCHEMBL696116 0.80 XDH (0.50) XDHKDM4CALKBH5FTO
SCHEMBL34461785 0.79 XDH (0.56) XDHKDM4C
SCHEMBL31301691 0.79 MAP4K4 (0.56) XDHMAP4K4
Hydrochloric Acid SCHEMBL7968706 0.78 XDH (0.49) XDHKDM4CALKBH5FTO
SCHEMBL1505808 0.77 KDM4E (0.57) XDHKDM4CALKBH5FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPV3 4/4885XDH 3508/4885SRD5A2 4618/4885

“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.