SCHEMBL1260197

SCHEMBL1260197

COC(=O)c1cccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FAAH O00519 2/20 0.52
KAT6A Q92794 1/20 0.51
CES1 P23141 4/20 0.50
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
NCEH1 Q6PIU2 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL3711274 0.88 MCL1 (0.55) ALDH1A1HPGDFAAHGAASMN1; SMN2
SCHEMBL23037197 0.87 MAPT (0.54) ALDH1A1FAAHCES1GAARAB9A
SCHEMBL29595815 0.87 MAPT (0.54) ALDH1A1FAAHCES1GAARAB9A
SCHEMBL483444 0.87 MAPT (0.56) ALDH1A1HPGDHSD17B10FAAHKAT6A
SCHEMBL28213723 0.87 IRAK4 (0.48) ALDH1A1FAAHCES1GAARAB9A
SCHEMBL11297183 0.85 MAPT (0.61) RAB9ASMN1; SMN2
SCHEMBL25002897 0.85 MAPT (0.58) ALDH1A1KDM4ECNR2CNR1RAB9A
SCHEMBL25002929 0.85 ADORA3 (0.52) ALDH1A1KDM4EHPGDHSD17B10FAAH
SCHEMBL11158237 0.85 SCN10A (0.45) FAAHCES1GAARAB9ASMN1; SMN2
SCHEMBL14008675 0.85 FAAH (0.52) ALDH1A1KDM4EHPGDHSD17B10FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354897-B Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2024-10-15 CN disclosed
CN-116354897-A Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2023-06-30 CN disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20060100427-A1 Novel Gamma Secretase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2006-05-11 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
EP-1472223-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2004-11-03 EP disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040048848-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2004-03-11 US disclosed
WO-2003066592-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-08-14 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 (5 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 4012/4885KDM4E 2433/4885HPGD 3814/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 ALDH1A1 1953/4885KDM4E 1995/4885HPGD 3246/4885
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 ALDH1A1 2255/4885KDM4E 947/4885HPGD 2136/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 ALDH1A1 1610/4885KDM4E 1998/4885HPGD 2996/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 2742/4885KDM4E 2865/4885HPGD 3587/4885

“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.