SCHEMBL13627936

SCHEMBL13627936

O=C1/C(=N\O)c2cc(F)ccc2N1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.62
EGFR P00533 2/20 0.54
PARK7 Q99497 2/20 0.52
CHRM5 P08912 2/20 0.50
ALDH1A1 P00352 8/20 0.49
ALDH3A1 P30838 7/20 0.49
ALDH2 P05091 3/20 0.49
LRRK2 Q5S007 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM1 P11229 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL13627937 0.92 CHRM5 (0.55) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13627946 0.91 UBE2N (0.56) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13910783 0.91 TRPA1 (0.53) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13627975 0.88 TRPA1 (0.50) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13627940 0.87 CHRM5 (0.51) TRPA1PARK7CHRM5ALDH1A1ALDH3A1
SCHEMBL13627948 0.87 TRPA1 (0.48) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13627927 0.85 ALDH3A1 (0.68) ALDH1A1ALDH3A1ALDH2LRRK2MAPT
SCHEMBL13627947 0.85 CHRM5 (0.52) TRPA1PARK7CHRM5ALDH1A1ALDH3A1
SCHEMBL13910788 0.85 TRPA1 (0.47) TRPA1EGFRPARK7CHRM5ALDH1A1
SCHEMBL13627917 0.84 ACHE (0.52) TRPA1ALDH1A1ALDH3A1ALDH2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 TRPA1 4561/4885EGFR 443/4885PARK7 1612/4885

“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.