SCHEMBL4299302

SCHEMBL4299302

CCC(=NO)/C(C)=C/c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.55
SIGMAR1 Q99720 2/20 0.55
ABCB11 O95342 1/20 0.55
GABRA1 P14867 1/20 0.49
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B2 P19099 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TBXAS1 P24557 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL4299306 1.00 TRPA1 (0.55) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL4299298 1.00 TRPA1 (0.55) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3673077 0.81 CYP11B2 (0.53) TRPA1MAPTALDH1A1MAPK1KMT2A
SCHEMBL3673074 0.81 CYP11B2 (0.53) TRPA1MAPTALDH1A1MAPK1KMT2A
SCHEMBL3667051 0.81 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667053 0.81 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667048 0.81 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL4297061 0.81 TRPA1 (0.66) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667187 0.80 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1MAPT
SCHEMBL3667185 0.80 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751850-B2 TRPA1 antagonists ABBVIE INC. (US) 2017-09-05 US claimed
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US claimed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US claimed
US-9751850-B2 TRPA1 antagonists ABBVIE INC. (US) 2017-09-05 US disclosed
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US disclosed
US-8877784-B2 TRPA1 antagonists ABBVIE INC. (US) 2014-11-04 US disclosed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US 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 (2 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-20150065538-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885SIGMAR1 266/4885ABCB11 700/4885
US-20090264480-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885SIGMAR1 266/4885ABCB11 700/4885

“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.