SCHEMBL302097

SCHEMBL302097

O=C=NCc1ccc(N=C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.65
TSHR P16473 1/20 0.65
CYP1A2 P05177 1/20 0.47
TRPA1 O75762 3/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RY6 Q15077 1/20 0.39
MIF P14174 4/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL29087457 0.94 CYP3A4 (0.59) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL27899734 0.94 CYP3A4 (0.59) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL9716383 0.94 CYP3A4 (0.59) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL6895340 0.86 MIF (0.56) CYP3A4TSHRCYP1A2TRPA1MIF
SCHEMBL21089 0.86 MIF (0.44) CYP3A4TSHRCYP1A2TRPA1MIF
SCHEMBL22588334 0.86 CYP3A4 (0.48) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL452752 0.86 P2RY6 (0.59) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL10784417 0.85 CYP3A4 (0.49) CYP3A4TSHRCYP1A2TRPA1MAPK1
SCHEMBL28279913 0.84 CYP3A4 (0.47) CYP3A4TSHRCYP1A2TRPA1MAPK1
Water SCHEMBL14972874 0.84 MIF (0.43) CYP3A4TSHRTRPA1MIFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12589377-B2 Encapsulated composition comprising core-shell microcapsules and process for its preparation GIVAUDAN SA (CH) 2026-03-31 US claimed
EP-4021629-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-04 EP claimed
US-20230340374-A1 Improvements in or Relating to Organic Compounds GIVAUDAN SA (CH) 2023-10-26 US claimed
CN-116544501-A Electrolyte and application thereof 广州天赐高新材料股份有限公司 2023-08-04 CN claimed
US-20230166230-A1 ENCAPSULATED COMPOSITION COMPRISING CORE-SHELL MICROCAPSULES AND PROCESS FOR ITS PREPARATION GIVAUDAN SA (CH) 2023-06-01 US claimed
EP-4157203-A1 ENCAPSULATED COMPOSITION COMPRISING CORE-SHELL MICROCAPSULES AND PROCESS FOR ITS PREPARATION Givaudan SA (CH) 2023-04-05 EP claimed
CN-115666494-A Encapsulated compositions comprising core-shell microcapsules and methods of making the same 奇华顿股份有限公司 2023-01-31 CN claimed
US-20220306970-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-09-29 US claimed
EP-4021629-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-07-06 EP claimed
CN-114340775-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-04-12 CN claimed
US-20050287560-A1 Method for preparing substrates having immobilized molecules and substrates NANOSPHERE, INC. 2005-12-29 US claimed
WO-2005108625-A2 METHOD FOR PREPARING SUBSTRATES HAVING IMMOBILIZED MOLECULES AND SUBSTRATES NANOSPHERE, INC. (US) 2005-11-17 WO claimed
EP-1569512-A2 PARTICULATE SUSPENSIONS Syngenta Limited (GB) 2005-09-07 EP claimed
WO-2004052099-A2 PARTICULATE SUSPENSIONS SYNGENTA LIMITED (GB) 2004-06-24 WO claimed
US-5402839-A Hardness of flat-free and void free tires is formed by reacting polyol, polyisocyanate and aromatic polyamine in presence of extender oil GUPTA LAXMI C (US) 1995-04-04 US claimed
EP-0387894-B1 Chain-extending agent for 4,4'-diphenyl methane diisocyanate prepolymers for casted polyurethane elastomers LONZA AG (CH) 1994-06-08 EP claimed
US-5026815-A Chlorinated 4,4**1-methylenebisanilines LONZA LTD. (CH) 1991-06-25 US claimed
US-4888442-A ADDING ORGANIC SOLVENT, THEN AGITATION, EVAPORATION MOBAY CORPORATION (US) 1989-12-19 US claimed
US-4619970-A CHROMATOGRAPHIC RESOLUING AGENT OF SILION GEL BONDED TO OPTICALLY ACTIVE POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-10-28 US claimed
EP-0083232-A1 Aqueous compositions comprising blocked isocyanate crosslinking agent FORD MOTOR COMPANY LIMITED (GB) 1983-07-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12589377-B2 Encapsulated composition comprising core-shell microcapsules and process for its preparation CUTA, EXOC1, EXOSC10 CYP3A4 4123/4885TSHR 2858/4885CYP1A2 3106/4885
US-20220306970-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS PHOSPHO1, LIPA, LIPC CYP3A4 3635/4885TSHR 3566/4885CYP1A2 3725/4885

“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.