SCHEMBL2519201

SCHEMBL2519201

CC(=O)OC(=O)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KMT2A Q03164 10/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
LMNA P02545 4/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL2491556 0.88 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL30659698 0.88 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL31648307 0.88 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1APPGAA
Ammonia Solution, Strong SCHEMBL28264184 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL27893145 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL27673236 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL14937316 0.86 ALDH1A1 (0.64) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL10603067 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL10727818 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1APPGAA
SCHEMBL23881959 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1APPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106191081-B Molecular marker method for detecting anti-imazethapyr-imidazole genes of millet 河北省农林科学院谷子研究所 2020-12-08 CN claimed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
CN-112236421-A Pyrazole derivative and pest control agent 组合化学工业株式会社 2021-01-15 CN disclosed
CN-112118830-A High active agent loading solid dosage forms 比利时胶囊公司 2020-12-22 CN disclosed
CN-110996913-A Novel oral formulation of belinostat 欧恩科斯欧公司 2020-04-10 CN disclosed
US-10543227-B2 Hair growth composition RIKEN (JP) 2020-01-28 US disclosed
CN-109796397-A A kind of preparation method of 3- acetylpyridine 浙江理工大学 2019-05-24 CN disclosed
US-20190015447-A1 HAIR GROWTH COMPOSITION RIKEN (JP) 2019-01-17 US disclosed
CN-102307839-B Method for producing aldehydes and ketones from primary and secondary alcohols EVONIK DEGUSSA GMBH 2015-03-11 CN disclosed
US-20110251399-A1 METHOD FOR PRODUCING ALDEHYDES AND KETONES FROM PRIMARY AND SECONDARY ALCOHOLS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP disclosed
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed
CN-1105665-A 5-{(imidazo{4,5-b}pyridin-3-yl)methyl}benzofuran derivatives GLAXO GROUP LTD (GB) 1995-07-26 CN disclosed
US-4723017-A Process for preparing 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1988-02-02 US disclosed
US-4687856-A 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1987-08-18 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-20110251399-A1 METHOD FOR PRODUCING ALDEHYDES AND KETONES FROM PRIMARY AND SECONDARY ALCOHOLS ADH1A, ADH5, ADH1C ALDH1A1 29/4885KMT2A 680/4885L3MBTL1 2904/4885
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 ALDH1A1 2211/4885KMT2A 3609/4885L3MBTL1 4764/4885

“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.