SCHEMBL6511944

SCHEMBL6511944

[O]Cc1coc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.63
CA2 P00918 1/20 0.54
PSMB5 P28074 3/20 0.49
PSMB8 P28062 2/20 0.49
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
IL4I1 Q96RQ9 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
MAOA P21397 2/20 0.44
PTPN1 P18031 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6511946 0.84 MAOB (0.71) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL2095984 0.83 MAOB (0.55) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL1252407 0.83 CA2 (0.59) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL27776938 0.81 CA2 (0.57) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL1027115 0.80 KDM4E (0.62) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL735027 0.79 MAOB (0.59) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL3147413 0.79 MAOB (0.54) MAOBCA2PSMB5PSMB8KDM4C
Ammonia Solution, Strong SCHEMBL6385399 0.79 KDM4E (0.60) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL4014824 0.79 CA2 (0.55) MAOBCA2PSMB5PSMB8CYP17A1
SCHEMBL18331257 0.79 MAOB (0.54) MAOBCA2PSMB5PSMB8KDM4C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAOB 3664/4885CA2 170/4885PSMB5 3988/4885
US-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP MAOB 3976/4885CA2 1302/4885PSMB5 4255/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885CA2 170/4885PSMB5 3988/4885

“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.