SCHEMBL893956

SCHEMBL893956

O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
S1PR1 P21453 2/20 0.43
TOP1 P11387 2/20 0.42
NPC1 O15118 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
UBE2N P61088 1/20 0.39
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
GRM2 Q14416 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL13045333 0.82 S1PR1 (0.39) KMT2AMAPK1HTTS1PR1TOP1
SCHEMBL893182 0.81 CHRM5 (0.43) KMT2AHTTTOP1KDM4EALDH1A1
SCHEMBL893929 0.79 S1PR1 (0.51) HTTS1PR1TOP1NPC1KDM4E
SCHEMBL3567928 0.76 S1PR1 (0.56) MAPK1HTTS1PR1TOP1NPC1
SCHEMBL25459772 0.74 S1PR1 (0.53) HTTS1PR1TOP1NPC1KDM4E
SCHEMBL30085885 0.74 S1PR1 (0.53) HTTS1PR1TOP1NPC1KDM4E
SCHEMBL21001306 0.72 KMO (0.50) S1PR1TOP1NPC1MAPTSMN1; SMN2
SCHEMBL12185228 0.72 KMT2A (0.56) KMT2ANPC1ALDH1A1MAOBMAPT
SCHEMBL3728860 0.71 SCN9A (0.56) S1PR1NPC1MAPTSMN1; SMN2SCN9A
SCHEMBL3572426 0.69 S1PR1 (0.51) HTTS1PR1NPC1CYP11B1KDM4E

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 KMT2A 3371/4885MAPK1 1950/4885HTT 158/4885

“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.