SCHEMBL602779

SCHEMBL602779

COc1ccc(CC(=O)NN)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CTSD P07339 2/20 0.58
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ALPL P05186 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL19338412 0.87 ALDH1A1 (0.53) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL17730692 0.86 HTT (0.50) EPHX2KMT2AGAAKDM4ELMNA
SCHEMBL2403269 0.85 KMT2A (0.71) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL21156696 0.85 EPHX2 (0.64) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL10442179 0.84 KMT2A (0.63) KMT2AKDM4ECTSDALDH1A1
SCHEMBL6504529 0.83 EPHX2 (0.62) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL17993526 0.83 KMT2A (0.64) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL15892681 0.83 CTSD (0.61) EPHX2KMT2AGAAPOLBKDM4E
SCHEMBL1033641 0.82 LMNA (0.61) EPHX2KMT2AGAAKDM4ECTSD
SCHEMBL29602721 0.82 LMNA (0.61) EPHX2KMT2AGAAKDM4ECTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN disclosed
CN-114989131-A N' - (2- (benzo [1,3] dioxolane-5-yl) acyl) aroyl hydrazide compound and synthesis and application thereof 云南大学 2022-09-02 CN disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US disclosed
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
CN-1191255-C Benzodiazepine derivatives as GABA A receptor modulators HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO disclosed
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
CN-1474820-A Benzodiazepine derivatives as GABA A receptor modulators - 2004-02-11 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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 (4 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 EPHX2 3461/4885KMT2A 1267/4885GAA 2717/4885
US-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR EPHX2 4447/4885KMT2A 1772/4885GAA 459/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR EPHX2 4447/4885KMT2A 1772/4885GAA 459/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR EPHX2 1724/4885KMT2A 3949/4885GAA 1941/4885

“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.