SCHEMBL4497487

SCHEMBL4497487

COC(=O)c1ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.49
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
PTGER4 P35408 1/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HCAR3 P49019 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL17336716 0.94 KMT2A (0.55) VCAM1KMT2AALDH1A1LMNARAB9A
SCHEMBL751533 0.88 HCAR3 (0.62) KMT2AALDH1A1HPGDLMNAMAPT
SCHEMBL753425 0.88 KMT2A (0.72) KMT2AALDH1A1HPGDNPSR1LMNA
SCHEMBL21598330 0.88 ALDH1A1 (0.56) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL16755408 0.85 MAPT (0.55) VCAM1KMT2AALDH1A1HPGDLMNA
SCHEMBL29036613 0.85 MAPT (0.49) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL5868984 0.84 HCAR3 (0.55) VCAM1KMT2AALDH1A1RAB9AMAPT
SCHEMBL31365089 0.84 ALDH1A1 (0.58) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL8231247 0.84 ALDH1A1 (0.58) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL2245654 0.83 MAPT (0.56) VCAM1KMT2AALDH1A1HPGDNPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119859155-A Tri-fused ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2025-04-22 CN 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-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
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO 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
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 US disclosed
US-6534535-B1 Administering indole derivative as anticoagulant MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
WO-2001012600-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-02-22 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 VCAM1 547/4885KMT2A 3261/4885ALDH1A1 451/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 VCAM1 4107/4885KMT2A 513/4885ALDH1A1 824/4885
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 VCAM1 3670/4885KMT2A 1326/4885ALDH1A1 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.