SCHEMBL4824448

SCHEMBL4824448

CCOC(=O)C(C)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 8/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
NR5A1 Q13285 1/20 0.48
POLB P06746 1/20 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
SCHEMBL10976558 0.89 L3MBTL1 (0.53) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL17432580 0.87 L3MBTL1 (0.60) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL9135642 0.85 KMT2A (0.55) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL4825168 0.84 RAB9A (0.49) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL4825004 0.82 L3MBTL1 (0.58) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL13681704 0.82 MAPT (0.54) L3MBTL1RAB9AKDM4EALDH1A1NPC1
SCHEMBL12992039 0.82 MAPT (0.54) L3MBTL1RAB9AKDM4EALDH1A1NPC1
SCHEMBL7221265 0.82 KMT2A (0.58) L3MBTL1RAB9AKDM4EALDH1A1HTT
SCHEMBL18569607 0.81 ALDH1A1 (0.47) L3MBTL1RAB9AKDM4EALDH1A1RECQL
SCHEMBL3792640 0.81 ALDH1A1 (0.45) L3MBTL1RAB9AKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
CN-1982299-A Benzoxasine and benzothiasine derivatives and pharmaceutical composition containing the same REDDY RES FOUNDATION (IN) 2007-06-20 CN disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
CN-1596249-A benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2005-03-16 CN disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 L3MBTL1 4671/4885RAB9A 3400/4885KDM4E 2322/4885

“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.