SCHEMBL5451478

SCHEMBL5451478

COc1ccc(Sc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
LMNA P02545 1/20 0.73
ALDH1A1 P00352 2/20 0.63
PTGIR P43119 1/20 0.61
MAPT P10636 3/20 0.55
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
RAB9A P51151 1/20 0.55
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL12762430 0.90 LMNA (0.59) HPGDL3MBTL1LMNAALDH1A1PTGIR
P-Methoxy-Acetophenone SCHEMBL41285 0.88 MAPT (0.70) HPGDL3MBTL1LMNAALDH1A1MAPT
SCHEMBL12762443 0.86 MAPT (0.54) HPGDL3MBTL1LMNAALDH1A1PTGIR
P-Methoxy-Acetophenone SCHEMBL27814658 0.86 MAPT (0.67) HPGDL3MBTL1LMNAALDH1A1MAPT
P-Methoxy-Acetophenone SCHEMBL27967967 0.86 MAPT (0.67) HPGDL3MBTL1LMNAALDH1A1MAPT
P-Methoxy-Acetophenone SCHEMBL27841741 0.86 MAPT (0.67) HPGDL3MBTL1LMNAALDH1A1MAPT
P-Methoxy-Acetophenone SCHEMBL9835038 0.86 MAPT (0.67) HPGDL3MBTL1LMNAALDH1A1MAPT
SCHEMBL835108 0.85 HPGD (1.00) HPGDL3MBTL1LMNAALDH1A1MAPT
SCHEMBL1755726 0.85 HPGD (1.00) HPGDL3MBTL1LMNAALDH1A1MAPT
SCHEMBL6932815 0.85 CA1 (0.77) HPGDL3MBTL1LMNAALDH1A1PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-04-12 US disclosed
WO-2005044263-A1 SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-05-19 WO disclosed
EP-0811002-B1 BENZYLPIPERIDINES AND PIPERAZINES AS MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2004-01-21 EP disclosed
US-6498168-B2 CAPABLE OF ENHANCING ACETYLCHOLINE RELEASE WITH ACETYLCHOLINESTERASE INHIBITORS; TREATMENT OF ALZHEIMER'S DISEASE AND OTHER COGNITIVE DISORDERS SCHERING CORPORATION 2002-12-24 US disclosed
US-20020103205-A1 Muscarinic antagonists LOWE DEREK (US) 2002-08-01 US disclosed
US-6288068-B1 ADMINISTERING 1,4-DISUBSTITED PIPERIDINE DERIVATIVE; ALZHEIMER*S DISEASE, COGNITION ACTIVATORS; ANTICHOLINERGIC AGENTS SCHERING CORPORATION 2001-09-11 US disclosed
US-6037352-A N-SUBSTITUTED PIPERIDINE DERIVATIVES; TREATING ALZHEIMER*S DISEASE, NERVOUS SYSTEM DISORDERS; ACETYLCHOLINESTERASE INHIBITORS SCHERING CORPORATION (US) 2000-03-14 US disclosed
US-5883096-A DI-N-SUBSTITUTED PIPERAZINE DERIVATIVES; ALZHEIMER*S DISEASE, COGNITION ACTIVATORS; SYNERGISTIC MIXTURES WITH ACETYLCHOLINESTERASE INHIBITORS SCHERING CORPORATION (US) 1999-03-16 US disclosed
EP-0811002-A2 BENZYLPIPERIDINES AND PIPERAZINES AS MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1997-12-10 EP disclosed
WO-1996026196-A2 BENZYLPIPERIDINES AND PIPERAZINES AS MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1996-08-29 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 (6 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 HPGD 1394/4885L3MBTL1 1004/4885LMNA 4215/4885
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 HPGD 744/4885L3MBTL1 4182/4885LMNA 4664/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 HPGD 744/4885L3MBTL1 4182/4885LMNA 4664/4885
US-20020103205-A1 Muscarinic antagonists CHRM1, CHRM2, CHRM5 HPGD 1195/4885L3MBTL1 3367/4885LMNA 3832/4885
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation MKI67, CCNI, CDK4 HPGD 2433/4885L3MBTL1 2111/4885LMNA 4630/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 HPGD 1394/4885L3MBTL1 1004/4885LMNA 4215/4885

“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.