SCHEMBL453488

SCHEMBL453488

NOC(=O)c1ccccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
HSD17B10 Q99714 10/20 0.67
CFTR P13569 1/20 0.67
TSHR P16473 3/20 0.55
KDM4E B2RXH2 6/20 0.53
HPGD P15428 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
GLA P06280 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL679492 0.85 TSHR (0.50) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL2367627 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL7461130 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL1000210 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL4297130 0.82 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL19169375 0.81 MMP2 (0.62) ALDH1A1HSD17B10CFTRTSHRKDM4E
SCHEMBL17219848 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10CFTRTSHRKDM4E
Methyl Anthranilate SCHEMBL901249 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRTSHRKDM4E
Methyl Anthranilate SCHEMBL57713 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRTSHRKDM4E
Methyl Anthranilate SCHEMBL29444250 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CFTRTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105518452-A Method for preparing labeled sugar chain sample SUMITOMO BAKELITE CO 2016-04-20 CN claimed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US claimed
JP-8146210-A None JP disclosed
CN-109863185-B Novel monomers and polymers 巴斯夫欧洲公司 2022-05-10 CN disclosed
US-11053334-B2 Monomers and polymers BASF SE (DE) 2021-07-06 US disclosed
EP-3535307-B1 NOVEL MONOMERS AND POLYMERS BASF SE (DE) 2021-02-24 EP disclosed
US-20200048388-A1 NOVEL MONOMERS AND POLYMERS BASF SE (DE) 2020-02-13 US disclosed
EP-3535307-A1 NOVEL MONOMERS AND POLYMERS BASF SE (DE) 2019-09-11 EP disclosed
CN-109863185-A novel monomers and polymers 巴斯夫欧洲公司 2019-06-07 CN disclosed
CN-109012606-A A kind of MOF-Zn@molecular sieves compound material, preparation method and the application in cigarette 河南中烟工业有限责任公司 2018-12-18 CN disclosed
WO-2018141069-A1 METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALEDHYDES UNIVERSITY OF OTTAWA (CA) 2018-08-09 WO disclosed
EP-1192186-A1 MODIFIED POLYSACCHARIDES CONTAINING AMPHIPHILIC MOIETIES Kimberly-Clark Worldwide, Inc. (US) 2002-04-03 EP disclosed
CN-1310703-A Process for producing 2-aminobenzophenone compound NISSAN CHEMICAL IND LTD (JP) 2001-08-29 CN disclosed
CN-1270506-A Enzymatic foam composition for dyeing keratin fibers NOVO NORDISK AS (DK) 2000-10-18 CN disclosed
WO-2000043423-A1 MODIFIED POLYSACCHARIDES CONTAINING AMPHIPHILIC MOIETIES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-07-27 WO disclosed
JP-H08146210-A INK COMPOSITION FOR COLOR FILTER AND COLOR FILTER UBE IND LTD 1996-06-07 JP disclosed
US-4365051-A CURING AGENTS, CHAIN EXTENSION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-12-21 US disclosed
US-4254272-A PHENYL OR CYCLOHEXYL ESTER OF 3,5-DIAMINO-4-TERT-BUTYL-BENZOIC ACID THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-03-03 US disclosed
US-4242722-A AMMONIUM ANTHRANILATE, ETHYLENE GLYCOL SOLVENT SPRAGUE ELECTRIC COMPANY (US) 1980-12-30 US disclosed
US-4222955-A CURING AGENT FOR POLYURETHANES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 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 (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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ALDH1A1 4771/4885HSD17B10 2926/4885CFTR 765/4885

“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.