SCHEMBL13520189

SCHEMBL13520189

CC(=O)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL15887322 0.87 GPR35 (0.51) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL231627 0.85 MAPT (0.59) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL2710180 0.85 MAPT (0.59) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL9375548 0.84 POLB (0.50) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL13519622 0.84 POLB (0.50) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL2742575 0.83 MAPT (0.58) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL7126615 0.83 POLB (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL18354223 0.83 TSHR (0.54) MAPK1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL7564083 0.83 POLB (0.52) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL8729537 0.83 POLB (0.49) POLBMAPK1ALDH1A1TP53HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926332-B2 Dihydro-oxazinobenzodiazepine compounds, a process for their preparation and pharmaceutical compositions containing them EGIS GYOGYSZERGYAR ZRT. (HU) 2018-03-27 US disclosed
US-9926332-B2 Dihydro-oxazinobenzodiazepine compounds, a process for their preparation and pharmaceutical compositions containing them EGIS GYOGYSZERGYAR ZRT. (HU) 2018-03-27 US disclosed
US-20170002020-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM EGIS GYOGYSZERGYAR ZRT. (HU) 2017-01-05 US disclosed
US-20170002020-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM EGIS GYOGYSZERGYAR ZRT. (HU) 2017-01-05 US disclosed
US-20170002020-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM EGIS GYOGYSZERGYAR ZRT. (HU) 2017-01-05 US disclosed
EP-3097110-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Egis Gyógyszergyár Zrt. (HU) 2016-11-30 EP disclosed
WO-2015110848-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYÓGYSZERGYÁR ZRT. (HU) 2015-07-30 WO disclosed
WO-2015110848-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYÓGYSZERGYÁR ZRT. (HU) 2015-07-30 WO disclosed
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 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-20170002020-A1 NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM GABRB2, GABRB3, GABRA5 POLB 3066/4885MAPK1 4337/4885ALDH1A1 603/4885
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS TFB2M, TFAM, SHMT2 POLB 495/4885MAPK1 3837/4885ALDH1A1 2418/4885

“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.