SCHEMBL14740824

SCHEMBL14740824

CC(C)(C)OC(=O)Nc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL31365089 0.86 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1CYP3A4NPC1
SCHEMBL8231247 0.86 ALDH1A1 (0.58) KMT2AALDH1A1MAPK1CYP3A4NPC1
SCHEMBL8469198 0.85 KCNMA1 (0.50) KMT2AMEN1ALDH1A1MAPK1NPC1
SCHEMBL15160073 0.85 HTT (0.53) KMT2AALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL29430688 0.84 ABCB1 (0.53) KMT2AMEN1ALDH1A1MAPK1CYP3A4
SCHEMBL975856 0.84 ABCB1 (0.53) KMT2AMEN1ALDH1A1MAPK1CYP3A4
SCHEMBL1265609 0.84 KCNMA1 (0.53) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL5557413 0.84 NPC1 (0.48) KMT2AMEN1ALDH1A1MAPK1CYP3A4
SCHEMBL31663746 0.84 APP (0.55) KMT2AMEN1ALDH1A1MAPK1RECQL
SCHEMBL30573735 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPK1NPC1

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
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 KMT2A 1326/4885MEN1 3376/4885ALDH1A1 2319/4885

“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.