SCHEMBL474202

SCHEMBL474202

OCC/N=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.53
TAAR1 Q96RJ0 2/20 0.52
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 5/20 0.45
CA9 Q16790 4/20 0.45
CA1 P00915 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL474203 1.00 CA2 (0.53) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL2495122 0.87 CA2 (0.50) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL845362 0.85 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL4256710 0.85 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL845363 0.85 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL13310248 0.84 CA2 (0.46) CA2TAAR1CA12CA9CA1
SCHEMBL19036054 0.84 CA2 (0.50) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL13310265 0.83 TAAR1 (0.46) CA2TAAR1LMNAL3MBTL1MAP1LC3B
SCHEMBL5589496 0.81 CA2 (0.57) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL5589495 0.81 CA2 (0.57) CA2TAAR1LMNAL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023206874-A1 SACUBITRIL INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2023-02-09 US disclosed
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 US disclosed
EP-3693373-A1 METHOD FOR STEREOSELECTIVELY PRODUCING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2020-08-12 EP disclosed
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2020-08-06 US disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-02-11 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
EP-2243769-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE FLUOROAMINE CENTRAL GLASS CO LTD (JP) 2017-06-28 EP disclosed
EP-1907444-B1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES INC (US) 2009-08-19 EP disclosed
US-20090065445-A1 AROMATIC IMINE COMPOUNDS FOR USE AS SULFIDE SCAVENGERS GUARD PRODUCTS LLC (US) 2009-03-12 US disclosed
US-20080234411-A1 Thickener composition and method for thickening aqueous systems ROHM AND HAAS COMPANY 2008-09-25 US disclosed
EP-1972665-A2 Thickener composition and method for thickening aqueous systems Rohm and Haas Company (US) 2008-09-24 EP disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed
US-4008244-A VULCANIZATION ACCELERATORS PENNWALT CORPORATION (US) 1977-02-15 US disclosed
US-3987017-A OXAZOLIDINE- OR THIAZOLIDINE-CARBODI-THIOATES AS CURE ACCELERATORS PENNWALT CORPORATION (US) 1976-10-19 US disclosed
US-3976648-A VULCANIZATION ACCELERATORS PENNWALT CORPORATION (US) 1976-08-24 US disclosed
US-3943143-A Oxazolidine and thiazolidine derived carbodithioate compositions useful as vulcanization accelerators PENNWALT CORPORATION (US) 1976-03-09 US 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-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 CA2 2380/4885TAAR1 4448/4885LMNA 657/4885
US-20230040262-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, RNASEL CA2 2392/4885TAAR1 4453/4885LMNA 638/4885
US-10556873-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, CLTA CA2 123/4885TAAR1 548/4885LMNA 658/4885
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 CA2 1652/4885TAAR1 503/4885LMNA 3989/4885
US-20090065445-A1 AROMATIC IMINE COMPOUNDS FOR USE AS SULFIDE SCAVENGERS SMS, TST, SQOR CA2 4090/4885TAAR1 306/4885LMNA 2602/4885
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION AADAC, CAD, AOC1 CA2 998/4885TAAR1 1815/4885LMNA 3847/4885
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions AZI2, ABL1, DHPS CA2 48/4885TAAR1 2219/4885LMNA 4686/4885

“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.