SCHEMBL4450932

SCHEMBL4450932

CCCCC(/C=C/c1ccc(F)cc1)=N\O

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.82
LMNA P02545 3/20 0.44
HSD11B1 P28845 1/20 0.43
HTR7 P34969 1/20 0.42
ABCB11 O95342 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 2/20 0.40
TNFRSF1A P19438 1/20 0.40
IAPP P10997 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
FAAH O00519 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ATM Q13315 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
SCHEMBL4450935 1.00 TRPA1 (0.82) TRPA1LMNAHSD11B1HTR7ABCB11
SCHEMBL4450936 1.00 TRPA1 (0.82) TRPA1LMNAHSD11B1HTR7ABCB11
SCHEMBL4452015 0.90 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL1499454 0.90 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL1499452 0.90 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL4457739 0.83 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL1499368 0.83 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL1499367 0.83 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL4451132 0.83 TRPA1 (1.00) TRPA1LMNAHSD11B1ABCB11SIGMAR1
SCHEMBL9004073 0.80 TRPA1 (0.70) TRPA1LMNAHSD11B1ABCB11SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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 (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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 TRPA1 1/4885LMNA 2732/4885HSD11B1 3384/4885

“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.