SCHEMBL287024

SCHEMBL287024

COc1cccnc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MYC P01106 1/20 0.49
CYP1A2 P05177 1/20 0.49
CTSA P10619 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL2268684 0.98 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
Hydrochloric Acid SCHEMBL8882233 0.98 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
Alcohol SCHEMBL28974251 0.95 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1TSHR
Tetrahydrofuran SCHEMBL27536674 0.87 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL5928881 0.85 NFE2L2 (0.48) KDM4EALDH1A1L3MBTL1CA12CA1
SCHEMBL25307682 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL31019107 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL312146 0.83 L3MBTL1 (0.60) KDM4EALDH1A1L3MBTL1ALOX15CTSA
SCHEMBL796427 0.83 NFE2L2 (0.47) KDM4EALDH1A1L3MBTL1CA12CA1
SCHEMBL29503858 0.83 PLAU (0.53) L3MBTL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118491563-A Preparation method of metal-organic framework supported iridium-based catalyst and photocatalytic CO2Reduction application 大连理工大学 2024-08-16 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-115850349-B Metal complex catalyst and application thereof in preparation of 1,2, 3-pentamethylindane 山东新和成药业有限公司 2023-05-05 CN claimed
CN-115850349-A Metal complex catalyst and application thereof in preparation of 1,2, 3-pentamethyl indane 山东新和成药业有限公司 2023-03-28 CN claimed
EP-2511268-B1 OXAZINE DERIVATIVE SHIONOGI & CO (JP) 2016-07-13 EP claimed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP claimed
CN-104968657-A Substituted triazole and imidazole compounds HOFFMANN LA ROCHE 2015-10-07 CN claimed
CN-102414190-B Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2015-06-03 CN claimed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed
EP-2509966-A1 AMINO OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US claimed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US claimed
EP-2162443-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-03-17 EP claimed
WO-2008155666-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992624-A1 Heteroarylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 KDM4E 865/4885ALDH1A1 1540/4885MAPT 3483/4885
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, DPYD, HPRT1 KDM4E 4090/4885ALDH1A1 281/4885MAPT 3116/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 KDM4E 2548/4885ALDH1A1 563/4885MAPT 143/4885
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 KDM4E 4133/4885ALDH1A1 270/4885MAPT 3071/4885

“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.