SCHEMBL5105673

SCHEMBL5105673

C=CC(=O)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
AKT1 P31749 1/20 0.54
P4HB P07237 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
GSK3B P49841 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 5/20 0.47
THRA P10827 4/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL14118267 0.94 ALDH5A1 (0.52) ALDH5A1ABATCA2CA1AKT1
SCHEMBL4578283 0.85 ALDH1A1 (0.49) ALDH5A1ABATCA2CA1AKT1
SCHEMBL14192454 0.83 ALDH5A1 (0.61) ALDH5A1ABATAKT1P4HBALDH1A1
SCHEMBL4256312 0.82 ALDH5A1 (0.80) ALDH5A1ABATAKT1ALDH1A1MAPT
SCHEMBL1673513 0.81 CA2 (0.57) CA2CA1P4HBALDH1A1MAPT
Water SCHEMBL10349944 0.81 CA2 (0.57) CA2CA1P4HBALDH1A1MAPT
SCHEMBL5844959 0.81 ALDH5A1 (0.59) ALDH5A1ABATCA2CA1AKT1
SCHEMBL1490953 0.77 GSK3B (0.49) CA2CA1P4HBALDH1A1MAPT
SCHEMBL29227062 0.77 GSK3B (0.56) AKT1P4HBALDH1A1MAPTGSK3B
SCHEMBL19244970 0.76 P4HB (0.58) CA2CA1P4HBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251445-A Cyclic organosiloxane containing imide bond and polymerizable unsaturated bond and curable resin composition containing the same 信越化学工业株式会社 2024-06-25 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-116813824-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
CN-113646393-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-19 CN disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-116490350-A Resin composition, prepreg, resin sheet, metal foil-clad laminate, and printed wiring board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-113348079-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-06-02 CN disclosed
CN-113444032-B Carbazole oxime ester compound, preparation method, composition and application 优禘股份有限公司 2023-05-09 CN disclosed
CN-113613652-A Benzimidazole compounds and their use for treating alzheimer's disease or huntington's disease 台湾卫生研究院 2021-11-05 CN disclosed
CN-113444032-A Carbazole oxime ester compound, preparation method, composition and application 优禘股份有限公司 2021-09-28 CN disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed
EP-0073456-B1 TETRAAZAANNULENE COBALT COMPLEX COMPOUNDS AND METHOD FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-27 EP 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK ALDH5A1 1877/4885ABAT 1720/4885CA2 2078/4885
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 ALDH5A1 4016/4885ABAT 4525/4885CA2 3067/4885
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS ALDH5A1 121/4885ABAT 4/4885CA2 2175/4885

“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.