SCHEMBL162798

SCHEMBL162798

COc1ccc(N=C=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRPA1 O75762 1/20 0.46
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36

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
SCHEMBL8673923 0.88 CYP3A4 (0.53) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10316751 0.85 ALDH1A1 (0.55) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL3601910 0.83 APLNR (0.42) CYP3A4ALDH1A1HPGDHTTKDM4E
SCHEMBL30266941 0.83 APLNR (0.42) CYP3A4ALDH1A1HPGDHTTKDM4E
SCHEMBL8564350 0.82 CYP3A4 (0.43) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10341831 0.82 CYP3A4 (0.43) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL703276 0.81 ALDH1A1 (0.71) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL29541267 0.81 ALDH1A1 (0.71) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL10392671 0.81 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10341987 0.81 PDIA6 (0.47) CYP3A4ALDH1A1HPGDTDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211202-B2 Process to make a conductive composition of a fluorinated polymer which contains polyaniline ATOFINA (FR) 2007-05-01 US claimed
EP-1428857-B1 Process to make a conductive composition of a fluorinated polymer which contains polyaniline ARKEMA FRANCE (FR) 2007-01-31 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
US-20220242846-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-08-04 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
CN-107935944-B Diaryl urea quinoxaline derivative with anti-tumor activity and synthetic method thereof 广西师范大学 2021-12-21 CN disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0821041-A2 Aqueous coating dispersion, process for the preparation thereof and use thereof in anticorrosive paint DSM N.V. (NL) 1998-01-28 EP disclosed
EP-0821040-A1 Aqueous coating dispersion, process for the preparation thereof and use thereof in anticorrosive paint DSM N.V. (NL) 1998-01-28 EP disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0538939-B1 Polymer composition DSM NV (NL) 1996-06-19 EP disclosed
EP-0589529-A1 Dispersion of electrically conductive particles in a dispersing medium DSM N.V. (NL) 1994-03-30 EP disclosed
US-5262483-A Styrene-maleic anhydride and polyaniline grafted with processability and conductivity DSM N.V. (NL) 1993-11-16 US disclosed
EP-0538939-A1 Polymer composition DSM N.V. (NL) 1993-04-28 EP disclosed
US-3969532-A 1-Aryl-3-(2-hydroxyethyl) thioureas for treating depression THE DOW CHEMICAL COMPANY (US) 1976-07-13 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 (4 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885ALDH1A1 4150/4885HPGD 3614/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 CYP3A4 3465/4885ALDH1A1 1089/4885HPGD 1938/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 CYP3A4 463/4885ALDH1A1 1331/4885HPGD 2148/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 CYP3A4 3085/4885ALDH1A1 1037/4885HPGD 1694/4885

“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.