SCHEMBL195528

SCHEMBL195528

[CH2]C(=O)c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.61
CA1 P00915 2/20 0.61
GSK3B P49841 2/20 0.55
PARP15 Q460N3 1/20 0.55
PARP10 Q53GL7 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P4HB P07237 1/20 0.44
MMP3 P08254 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL322070 0.81 PARP15 (0.78) CA2CA1GSK3BPARP15PARP10
SCHEMBL3753847 0.80 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL3433075 0.80 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
Hydrochloric Acid SCHEMBL406803 0.79 PARP15 (0.75) CA2CA1GSK3BPARP15PARP10
SCHEMBL2163556 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
SCHEMBL216706 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
SCHEMBL14307469 0.78 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
Formaldehyde SCHEMBL27504509 0.77 ALDH1A1 (0.68) CA2CA1GSK3BPARP15PARP10
Bicarbonate SCHEMBL11748879 0.76 CA2 (0.61) CA2CA1GSK3BPARP15PARP10
SCHEMBL13150974 0.76 CA2 (0.61) CA2CA1GSK3BPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617445-B Photosensitive compositions, curable compositions, novel compounds, photopolymerizable compositions, color filters, and planographic printing plate precursors FUJIFILM CORP 2015-02-18 CN claimed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP claimed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US claimed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US claimed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP claimed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US claimed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 WO claimed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US claimed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US claimed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US claimed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US claimed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP claimed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 WO claimed
CN-111108099-B Compound, epoxy curing catalyst, and method for producing compound 东京应化工业株式会社 2023-09-29 CN disclosed
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-08 US disclosed
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed
US-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 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 (7 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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 CA2 4779/4885CA1 4846/4885GSK3B 3391/4885
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CA2 3665/4885CA1 4759/4885GSK3B 2675/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CA2 3714/4885CA1 4781/4885GSK3B 2654/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CA2 3714/4885CA1 4781/4885GSK3B 2654/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 CA2 4847/4885CA1 4878/4885GSK3B 3064/4885
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound MSMO1, RIOK1, ME1 CA2 1446/4885CA1 344/4885GSK3B 1720/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CA2 3714/4885CA1 4781/4885GSK3B 2654/4885

“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.