SCHEMBL4304860

SCHEMBL4304860

CCC(=N\O)/C(C)=C/c1ccc(OC)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.56
SIGMAR1 Q99720 2/20 0.56
ABCB11 O95342 1/20 0.56
GABRA1 P14867 1/20 0.50
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
IDH1 O75874 3/20 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
SCHEMBL4304863 1.00 TRPA1 (0.56) TRPA1SIGMAR1ABCB11GABRA1TUBB4A
SCHEMBL4304865 1.00 TRPA1 (0.56) TRPA1SIGMAR1ABCB11GABRA1TUBB4A
SCHEMBL3667185 0.81 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL3667188 0.81 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL3667187 0.81 TRPA1 (0.60) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL3673423 0.79 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL4295971 0.79 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL3673422 0.79 TRPA1 (0.68) TRPA1SIGMAR1ABCB11GABRA1
SCHEMBL12383796 0.76 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4296275 0.76 TRPA1 (0.58) TRPA1SIGMAR1ABCB11GABRA1

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.