SCHEMBL6238717

SCHEMBL6238717

NNC(=O)c1cccc2oc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
GLA P06280 2/20 0.53
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
MAOB P27338 1/20 0.49
CDC14B O60729 1/20 0.45
CDC14A Q9UNH5 1/20 0.45
CTSD P07339 2/20 0.44
MAOA P21397 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL516118 0.83 ALOX5 (0.52) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL30476189 0.81 ALDH1A1 (0.76) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL2012858 0.81 ALDH1A1 (0.76) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL4586087 0.81 ALDH1A1 (0.53) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL29685650 0.79 ALDH1A1 (0.54) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL516363 0.79 ALDH1A1 (0.54) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL11401526 0.77 ALDH1A1 (0.53) ALDH1A1GLAMAPTKDM4EGAA
SCHEMBL8820485 0.77 ALDH1A1 (0.49) ALDH1A1GLAMAPTKDM4ECDC14B
SCHEMBL19760841 0.77 KDM4E (0.54) ALDH1A1GLAKDM4EMAOALMNA
Silver SCHEMBL11471729 0.76 ALDH1A1 (0.51) ALDH1A1GLAMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115568473-A Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2023-01-06 CN disclosed
CN-111683529-B Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2022-10-14 CN disclosed
CN-111526719-B Silylethynyl heteroaryl compounds as nitrification inhibitors 巴斯夫欧洲公司 2022-08-16 CN disclosed
CN-107580592-B Thioether compounds as nitrification inhibitors 巴斯夫欧洲公司 2022-03-04 CN disclosed
CN-107108385-B Benzylpropargylethers as nitrification inhibitors 巴斯夫欧洲公司 2021-09-24 CN disclosed
CN-107108386-B Alkynylpyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2021-05-04 CN disclosed
CN-112424148-A Use of substituted 2-thiazolines as nitrification inhibitors 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-112424147-A Use of substituted thiazolidine compounds as nitrification inhibitors 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-111683528-A Use of pyrazolylpropargyl ethers as nitrification inhibitors 巴斯夫欧洲公司 2020-09-18 CN disclosed
CN-111683529-A Use of alkoxypyrazoles as nitrification inhibitors 巴斯夫欧洲公司 2020-09-18 CN disclosed
CN-111683938-A Use of N-functionalized alkoxypyrazole compounds as nitrification inhibitors 巴斯夫欧洲公司 2020-09-18 CN disclosed
CN-111526719-A Silylethynyl heteroaryl compounds as nitrification inhibitors 巴斯夫欧洲公司 2020-08-11 CN disclosed
CN-105237519-B Navy blue electroluminescent compounds and its preparation method and application 北京大学 2019-02-22 CN disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT ALDH1A1 642/4885GLA 209/4885MAPT 5/4885

“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.