SCHEMBL2635720

SCHEMBL2635720

N#Cc1ccc(O)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 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
CYP19A1 P11511 1/20 0.44
MMP3 P08254 1/20 0.43
XDH P47989 1/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
STS P08842 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
SNCA P37840 1/20 0.40
AR P10275 1/20 0.40
CXCR2 P25025 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38

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
SCHEMBL23977435 0.85 CA12 (0.43) CA12CA2CA3CA6CA9
SCHEMBL4669307 0.84 ALDH1A1 (0.53) IMPDH2IMPDH1AR
SCHEMBL565978 0.81 CA12 (0.40) CA12CA2CA3CA6CA9
SCHEMBL3027689 0.81 CA12 (0.48) CA12CA2CA3CA6CA9
SCHEMBL29449995 0.80 CA12 (0.52) CA12CA2CA3CA6CA9
SCHEMBL217250 0.80 CA12 (0.52) CA12CA2CA3CA6CA9
SCHEMBL3541145 0.78 HNF4A (0.49) CA12CA2CA9XDHCXCR2
SCHEMBL34461940 0.78 CA12 (0.50) CA12CA2CA3CA6CA9
SCHEMBL1267040 0.78 ESR2 (0.44) CA12CA2CA3CA6CA9
SCHEMBL23271632 0.78 CA12 (0.50) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156698-B Preparation method and application of 2-phenyl-1, 6-dihydropyrimidine-5-formic acid derivative 沈阳海诺威医药科技有限公司 2020-10-13 CN claimed
CN-110156698-A The preparation method and purposes of 2- phenyl -1,6- dihydro-pyrimidin -5- formic acid derivates 沈阳海诺威医药科技有限公司 2019-08-23 CN claimed
WO-2011141933-A2 PROCESS FOR PREPARATION OF 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-11-17 WO claimed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US claimed
CN-113376965-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376962-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376963-B Coloring composition and compound 住友化学株式会社 2024-05-28 CN disclosed
CN-113376964-B Coloring composition and compound 住友化学株式会社 2024-04-26 CN disclosed
CN-113631661-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-11-07 CN disclosed
US-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses MITOPOWER LLC 2023-08-17 US disclosed
CN-113454167-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-08-15 CN disclosed
CN-107793407-B Compounds useful as colorants 住友化学株式会社 2022-07-08 CN disclosed
EP-0019665-B2 LIQUID-CRYSTAL COMPOSITIONS MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed
US-4664840-A DIELECTRIC ANISOTROPY Merck, E. (DE) 1987-05-12 US disclosed
EP-0190647-A2 Copolymer, separating membrane made thereof and method for separating charge transfer interactive substance from a liquid mixture containing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-08-13 EP disclosed
EP-0078503-B1 THERMOSETTING RESIN COMPOSITION AND PREPOLYMER THEREOF Hitachi, Ltd. (JP) 1986-02-26 EP disclosed
EP-0019665-B1 LIQUID-CRYSTAL COMPOSITIONS MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US disclosed
EP-0078503-A1 Thermosetting resin composition and prepolymer thereof Hitachi, Ltd. (JP) 1983-05-11 EP disclosed
EP-0019665-A1 Liquid-crystal compositions MERCK PATENT GmbH (DE) 1980-12-10 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 (1 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-20230255995-A1 Nicotinyl Riboside Compounds and Their Uses NADK, NNT, NAMPT CA12 4847/4885CA2 4723/4885CA3 4852/4885

“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.