SCHEMBL14740771

SCHEMBL14740771

Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31217344 0.90 RECQL (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL7144170 0.89 RECQL (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL17722017 0.89 RECQL (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL5563257 0.89 RECQL (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL5557182 0.89 RECQL (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL5557554 0.87 AR (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL5557383 0.87 LMNA (0.43) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL6164947 0.87 RECQL (0.42) RECQLHTTMAPTTP53ALDH1A1
SCHEMBL31554175 0.87 PDGFRB (0.52) RECQLHTTMAPTALDH1A1MAPK1
SCHEMBL8231247 0.84 ALDH1A1 (0.58) HTTMAPTALDH1A1MAPK1LMNA

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 13 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
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-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
US-20160122340-A1 HISTONE DEACETYLASE INHIBITORS BASED ON DERIVATIVES OF TRICYCLIC POLYHYDROACRIDINE AND ANALOGS POSSESSING FUSED SATURATED FIVE-AND-SEVEN-MEMBERED RINGS QUIMATRYX S L (ES) 2016-05-05 US 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-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-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
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
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 (3 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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 RECQL 4637/4885HTT 1571/4885MAPT 829/4885
US-20160122340-A1 HISTONE DEACETYLASE INHIBITORS BASED ON DERIVATIVES OF TRICYCLIC POLYHYDROACRIDINE AND ANALOGS POSSESSING FUSED SATURATED FIVE-AND-SEVEN-MEMBERED RINGS HDAC5, HDAC1, HDAC7 RECQL 676/4885HTT 249/4885MAPT 1159/4885
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 RECQL 1046/4885HTT 1574/4885MAPT 1748/4885

“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.