SCHEMBL3675504

SCHEMBL3675504

CCC(C=Cc1ccncc1)=NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.65
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
KDM1A O60341 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 4/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3675503 1.00 TRPA1 (0.65) TRPA1JUNNFKB1KDM1AALOX5
SCHEMBL9004094 0.81 TRPA1 (0.69) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3675519 0.80 RAB9A (0.54) TRPA1JUNNFKB1ALOX5NPC1
SCHEMBL3675517 0.80 RAB9A (0.54) TRPA1JUNNFKB1ALOX5NPC1
SCHEMBL4457739 0.79 TRPA1 (1.00) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1499367 0.79 TRPA1 (1.00) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4451132 0.79 TRPA1 (1.00) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9004135 0.79 TRPA1 (0.70) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1499368 0.79 TRPA1 (1.00) TRPA1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9004104 0.76 TRPA1 (0.66) TRPA1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065538-A1 TRPA1 ANTAGONISTS ABBVIE INC (US) 2015-03-05 US claimed
US-8877784-B2 TRPA1 antagonists ABBVIE INC. (US) 2014-11-04 US claimed
EP-2240450-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-10-20 EP claimed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US claimed
WO-2009089083-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO 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
EP-2240450-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-10-20 EP disclosed
US-20090264480-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-10-22 US disclosed
WO-2009089083-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 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 (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 1/4885JUN 3042/4885NFKB1 1430/4885
US-20090264480-A1 TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TRPA1 1/4885JUN 3042/4885NFKB1 1430/4885

“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.