SCHEMBL167429

SCHEMBL167429

O=C(Nc1cccc2c1CCN2C(=O)O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.41
LIPE Q05469 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL256735 0.85 UCHL1 (0.43) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL15077833 0.81 ALDH1A1 (0.41) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL8154848 0.74 TRPV1 (0.66) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL28370564 0.73 KDM4E (0.62) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL9394589 0.73 KDM4E (0.66) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL21598408 0.73 ALDH1A1 (0.41) NPSR1KMT2AMEN1ALDH1A1GAA
SCHEMBL1312094 0.70 TRPV1 (0.74) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL11076373 0.70 KMT2A (0.58) TRPV1NPSR1NPC1RAB9AKMT2A
SCHEMBL1743665 0.70 NOTUM (0.50) ALDH1A1HPGDNOTUMPIK3CDPIK3CA
SCHEMBL4330122 0.69 KMT2A (0.47) TRPV1NPSR1NPC1RAB9AKMT2A

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
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 TRPV1 4297/4885NPSR1 4504/4885NPC1 3123/4885

“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.