SCHEMBL6796229

SCHEMBL6796229

COc1cc(NC(C)=O)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
BRAF P15056 3/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GFER P55789 1/20 0.58
MEN1 O00255 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
IDO1 P14902 1/20 0.56
TDO2 P48775 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
FYN P06241 1/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL28977413 0.88 MAPT (0.51) MAPTBRAFPOLBALDH1A1GFER
SCHEMBL10792245 0.88 TSHR (0.53) MAPTBRAFPOLBALDH1A1GFER
SCHEMBL30360235 0.88 MAPT (0.51) MAPTBRAFPOLBALDH1A1GFER
SCHEMBL6817059 0.87 MAPT (0.62) MAPTBRAFPOLBALDH1A1GFER
SCHEMBL29663729 0.86 MAPT (0.69) MAPTPOLBALDH1A1GFERMEN1
SCHEMBL26250508 0.85 ALDH1A1 (0.58) MAPTBRAFPOLBALDH1A1GFER
SCHEMBL2090419 0.84 ALDH1A1 (0.54) MAPTPOLBALDH1A1GFERMEN1
SCHEMBL2090421 0.84 ATM (0.58) MAPTPOLBALDH1A1GFERMEN1
SCHEMBL2089843 0.84 POLB (0.56) MAPTPOLBALDH1A1GFERMEN1
SCHEMBL30360239 0.84 MEN1 (0.53) MAPTBRAFPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109265451-B Butyrylcholinesterase selective inhibitor and preparation method and application thereof 中国药科大学 2022-07-15 CN disclosed
US-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-19 US disclosed
EP-3438105-A1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Fudan University (CN) 2019-02-06 EP disclosed
CN-107778233-A Preparation method of neuromuscular blocker intermediate 四川科瑞德制药股份有限公司 2018-03-09 CN disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
WO-2013008256-A1 ONE POT ACYLATION OF AROMATIC AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-17 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 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-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION GRB2, KRAS, HRAS MAPT 3372/4885BRAF 11/4885POLB 3387/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A MAPT 2788/4885BRAF 3486/4885POLB 2095/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPT 3082/4885BRAF 897/4885POLB 1939/4885

“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.