SCHEMBL2094587

SCHEMBL2094587

c1ccc2c(c1)CN=NO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OXTR P30559 1/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 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
SCHEMBL757859 0.76
SCHEMBL1420960 0.68 TSHR (0.42) MAOAMAOB
SCHEMBL29657670 0.68 TSHR (0.42) MAOAMAOB
SCHEMBL8657021 0.67 MAOA (0.34) MAOAMAOB
SCHEMBL8469727 0.66 TDP1 (0.46) KMT2AGAA
SCHEMBL8366509 0.66 MAOA (0.33) MAOAMAOB
SCHEMBL1871104 0.65 MAOA (0.46) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL16862173 0.65 MAOA (0.46) MAOAMAOBOXTRGAANPSR1
SCHEMBL574743 0.65 MAOA (0.41) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL3074959 0.64 MAOA (0.50) MAOAMAOBABCG2ITGB2ICAM1

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 75 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-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
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
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
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-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
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 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 (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-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC MAOA 1541/4885MAOB 1282/4885ABCG2 676/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC MAOA 1541/4885MAOB 1282/4885ABCG2 676/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC MAOA 1541/4885MAOB 1282/4885ABCG2 676/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC MAOA 1599/4885MAOB 1360/4885ABCG2 698/4885

“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.