SCHEMBL8501319

SCHEMBL8501319

O=CC(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
NAPRT Q6XQN6 1/20 0.54
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PFKFB3 Q16875 2/20 0.47
CYP1A2 P05177 5/20 0.46
CYP2D6 P10635 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MPO P05164 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2A6 P11509 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
LTA4H P09960 1/20 0.45
LMNA P02545 1/20 0.45

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
Water SCHEMBL27880615 0.98 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1NAPRTHTT
SCHEMBL29058267 0.87 HDAC1 (0.55) ALDH1A1MAPK1TDP1NAPRTHTT
SCHEMBL6997673 0.82 HTT (0.67) ALDH1A1MAPK1TDP1NAPRTHTT
SCHEMBL6997670 0.82 HTT (0.67) ALDH1A1MAPK1TDP1NAPRTHTT
SCHEMBL222221 0.81 ALDH1A1 (0.74) ALDH1A1MAPK1TDP1HTTMEN1
Water SCHEMBL11592745 0.78 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1HTTMEN1
Water SCHEMBL11592742 0.78 ALDH1A1 (0.70) ALDH1A1MAPK1TDP1HTTMEN1
SCHEMBL7811738 0.78 AKT1 (0.60) ALDH1A1MAPK1TDP1NAPRTHTT
SCHEMBL27684753 0.78 HTT (0.57) ALDH1A1MAPK1NAPRTHTTMEN1
SCHEMBL4828448 0.75 ALDH1A1 (0.49) ALDH1A1MAPK1NAPRTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029649-B Ethynyl derivatives 豪夫迈·罗氏有限公司 2019-02-12 CN claimed
CN-107207481-A It is used as the derovatives of 3 (4 ethynyl phenyl) hexahydropyrimidine 2,4 of MGLUR4 conditioning agent 豪夫迈·罗氏有限公司 2017-09-26 CN claimed
CN-106029649-A Ethynyl derivatives 豪夫迈·罗氏有限公司 2016-10-12 CN claimed
CN-1201789-A Pyridine-3,4-diketone derivatives and their preparation and medicinal uses UNIV ZHONGSHAN (CN) 1998-12-16 CN claimed
US-12522618-B2 Copper complexes for treatment of neurodegenerative disorders ALS THERAPY DEVELOPMENT INSTITUTE (US) 2026-01-13 US disclosed
US-20240368195-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INST (US) 2024-11-07 US disclosed
US-12012422-B2 Copper complexes for treatment of neurodegenerative disorders ALS THERAPY DEVELOPMENT INSTITUTE (US) 2024-06-18 US disclosed
CN-116940555-A Substituted pyridine-2, 4-dione derivatives 深圳市康哲药业有限公司 2023-10-24 CN disclosed
CN-116940555-A Substituted pyridine-2, 4-dione derivatives 深圳市康哲药业有限公司 2023-10-24 CN disclosed
EP-4204399-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS Therapy Development Institute (US) 2023-07-05 EP disclosed
CN-116234800-A Copper complexes for the treatment of neurodegenerative disorders ALS治疗发展学会 2023-06-06 CN disclosed
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
CN-1201789-A Pyridine-3,4-diketone derivatives and their preparation and medicinal uses UNIV ZHONGSHAN (CN) 1998-12-16 CN disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
CN-1022325-C Azolidinedione derovatives PFIZER (US) 1993-10-06 CN disclosed
CN-1031702-A AZOLIDINEDIONE DEROVATIVES PFIZER (US) 1989-03-15 CN 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-12012422-B2 Copper complexes for treatment of neurodegenerative disorders SOD1, SMN1; SMN2, CLN6 ALDH1A1 1721/4885MAPK1 3986/4885TDP1 288/4885
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 ALDH1A1 1721/4885MAPK1 3986/4885TDP1 288/4885
US-20240368195-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 ALDH1A1 1721/4885MAPK1 3986/4885TDP1 288/4885

“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.