SCHEMBL12372714

SCHEMBL12372714

CC(C)(C)n1cc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ADORA3 P0DMS8 7/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.41
NOTUM Q6P988 1/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2B P29275 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9880650 0.77 ERCC1 (0.49) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL8406497 0.76 ERCC1 (0.52) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL13806371 0.73 CA12 (0.50) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL12400712 0.73 ERCC1 (0.45) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL9963182 0.73 MET (0.49) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL16455934 0.73 CA12 (0.60) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL12372809 0.72 DRD2 (0.64) DRD2DRD4DRD3TNKS
SCHEMBL4785233 0.72 CA12 (0.69) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL18447676 0.72 KIT (0.42) ERCC1FEN1ERCC4ALDH1A1RAB9A
SCHEMBL16456378 0.69 RAB9A (0.66) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1

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-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-7994325-B2 ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide MERCK SHARP & DOHME CORP. (US) 2011-08-09 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 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 (2 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 ERCC1 3915/4885FEN1 785/4885ERCC4 2957/4885
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R ERCC1 2578/4885FEN1 4687/4885ERCC4 2072/4885

“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.