SCHEMBL893182

SCHEMBL893182

O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.43
CHRM3 P20309 1/20 0.43
MAOB P27338 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
RECQL P46063 2/20 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
SCHEMBL17979319 0.84 ALDH1A1 (0.41) CHRM5JUNNFKB1NFKB2RELA
SCHEMBL893956 0.81 KMT2A (0.45) MAOBMAPTMEN1ALDH1A1KMT2A
SCHEMBL13044941 0.80 MAOB (0.36) CHRM5CHRM3MAOBNPSR1ALDH1A1
SCHEMBL3720990 0.76 ALDH1A1 (0.51) NPSR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL29411219 0.76 ALDH1A1 (0.51) NPSR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL4415503 0.76 CHRM5 (0.65) CHRM5CHRM3ADRA1DADRA1AADRA1B
SCHEMBL12185228 0.73 KMT2A (0.56) CHRM5MAOBADRA1DADRA1AADRA1B
SCHEMBL21854453 0.73 KMT2A (0.49) NPSR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL10163733 0.73 MAPT (0.54) MAPTMEN1ALDH1A1KMT2APKM
SCHEMBL1550082 0.73 CHRM5 (0.41) CHRM5CHRM3MAOBADRA1DADRA1A

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
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 CHRM5 889/4885CHRM3 279/4885MAOB 2787/4885

“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.