SCHEMBL13098147

SCHEMBL13098147

NC(=O)c1cccc2c1Oc1ccccc1CN2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
AURKA O14965 1/20 0.48
PARP1 P09874 6/20 0.47
TRPA1 O75762 3/20 0.46
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HSD17B3 P37058 1/20 0.36

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
SCHEMBL11162851 0.87 GAA (0.55) GAANPSR1AURKATRPA1MAPT
SCHEMBL11151970 0.83 ALOX5 (0.52) GAANPSR1TRPA1MAPTSMN1; SMN2
SCHEMBL11149354 0.80 NPSR1 (0.47) GAANPSR1TRPA1MAPTMEN1
SCHEMBL4668382 0.78 PARP1 (0.53) AURKAPARP1TRPA1MAPTTP53
SCHEMBL9262051 0.75 GAA (0.62) GAANPSR1MAPTMEN1KMT2A
SCHEMBL13098143 0.75 GAA (0.62) GAANPSR1MAPTMEN1KMT2A
SCHEMBL30271059 0.73 GAA (0.59) GAANPSR1AURKAMAPTSMN1; SMN2
SCHEMBL3502571 0.72 AURKA (0.59) AURKAPARP1TRPA1HSD17B3
Hydrochloric Acid SCHEMBL30271128 0.72 GAA (0.58) GAANPSR1AURKAMAPTSMN1; SMN2
SCHEMBL13098115 0.72 ALOX5 (0.55) GAANPSR1TRPA1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 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 (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-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 GAA 3708/4885NPSR1 386/4885AURKA 3990/4885

“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.