SCHEMBL4457739

SCHEMBL4457739

CCC(/C=C/c1ccc(F)cc1)=N/O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 1.00
ABCB11 O95342 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HSD11B1 P28845 1/20 0.48
MAOB P27338 2/20 0.47
TNFRSF1A P19438 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
NFE2L2 Q16236 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1499367 1.00 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL4451132 1.00 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL1499368 1.00 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL1499454 0.86 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL4452015 0.86 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL1499452 0.86 TRPA1 (1.00) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL4450935 0.83 TRPA1 (0.82) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL4450936 0.83 TRPA1 (0.82) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL4450932 0.83 TRPA1 (0.82) TRPA1ABCB11SIGMAR1HSD11B1MAOB
SCHEMBL9004135 0.82 TRPA1 (0.70) TRPA1MAOBLMNATP53GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 US claimed
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 1/4885ABCB11 861/4885SIGMAR1 303/4885

“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.