SCHEMBL2094585

SCHEMBL2094585

C1=NNOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.42
ALOX5 P09917 1/20 0.30

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
SCHEMBL5034772 1.00 TRPA1 (0.42) TRPA1ALOX5
SCHEMBL3194987 0.98 TRPA1 (0.41) TRPA1
SCHEMBL18867853 0.68 TRPA1 (0.38) TRPA1
SCHEMBL23727987 0.64
SCHEMBL452614 0.62
SCHEMBL3074957 0.62 ALOX5 (0.37) TRPA1ALOX5
SCHEMBL20499 0.60 TRPA1 (0.43) TRPA1
SCHEMBL1781023 0.60 TRPA1 (0.43) TRPA1
SCHEMBL3662203 0.60 MAPT (0.37) TRPA1ALOX5
SCHEMBL8924 0.60 MAPT (0.37) TRPA1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US claimed
CN-116669453-A Light emitting device, electronic device comprising the same, and mixture 三星电子株式会社 2023-08-29 CN disclosed
CN-115397244-A Nitrification inhibitor fungicide composition and use thereof 沃戴申生命科学美国有限责任公司 2022-11-25 CN disclosed
CN-114249749-A Conversion method of marbofloxacin formate 天象生物药业邢台有限责任公司 2022-03-29 CN disclosed
CN-114072388-A Plant growth regulator and method for promoting plant growth 株式会社吴羽 2022-02-18 CN disclosed
CN-111818800-A Pest control method and pest control agent composition 日本曹达株式会社 2020-10-23 CN disclosed
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
WO-2020049319-A9 METHODS FOR FORMING POLYCARBONATE ETHER POLYOLS AND HIGH MOLECULAR WEIGHT POLYETHER CARBONATES ECONIC TECHNOLOGIES LTD (GB) 2020-07-30 WO disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US disclosed
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5679675-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
WO-1997012613-A1 METHOD FOR TREATING AND PREVENTING INFLAMMATION AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed
CN-1114652-A 8-amino-pyrido(1,2,3-D,E)(1,3,4) benzoxadiazine derivatives BAYER AG (DE) 1996-01-10 CN disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed
EP-0564193-A1 Heteroannulation process ELI LILLY AND COMPANY (US) 1993-10-06 EP disclosed
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0219852-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1987-04-29 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 (3 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-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC TRPA1 2132/4885ALOX5 2337/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC TRPA1 2132/4885ALOX5 2337/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC TRPA1 2238/4885ALOX5 2537/4885

“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.