SCHEMBL894459

SCHEMBL894459

NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.55
KMT2A Q03164 1/20 0.51
CASP1 P29466 1/20 0.51
P2RY14 Q15391 3/20 0.47
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
PARP1 P09874 1/20 0.46
SCN9A Q15858 2/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 1/20 0.45
FAAH O00519 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
SCHEMBL894252 0.85 KMO (0.55) KMOABL1BCRFAAH
SCHEMBL601003 0.82 KMO (0.46) KMOCASP1ABL1BCRFAAH
SCHEMBL10223609 0.82 KMO (0.46) KMOCASP1ABL1BCRFAAH
SCHEMBL3721006 0.82 KMO (0.48) KMOKMT2AABL1BCRKCNH2
SCHEMBL3720212 0.81 ABL1 (0.62) KMOSCN9AABL1BCRFAAH
SCHEMBL4717327 0.80 ABL1 (0.57) ABL1BCRFAAH
SCHEMBL3721382 0.79 CASP1 (0.46) KMOCASP1JAK2JAK1PARP1
SCHEMBL1938380 0.79 KMO (0.74) KMOCASP1
SCHEMBL3725418 0.79 SCN9A (0.57) KMT2ACASP1PARP1SCN9A
SCHEMBL3719609 0.78 KMT2A (0.54) KMT2ACASP1SCN9A

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 claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
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
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 KMO 1781/4885KMT2A 3371/4885CASP1 359/4885

“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.