SCHEMBL3556415

SCHEMBL3556415

COc1c(O)ccc(N[C]=O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA2 P00918 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BCL2 P10415 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 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
SCHEMBL3564879 0.87 MEN1 (0.37) CA1CA12CA7CA9CA13
SCHEMBL3513510 0.79 MAPT (0.37) KMT2ARAB9ATDP1ALDH1A1KDM4E
SCHEMBL3572869 0.79 MAPT (0.41) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL3570348 0.75 MAPT (0.49) CA1CA12CA7CA9CA13
SCHEMBL69925 0.74 TDP1 (0.52) CA1CA12CA7CA9CA13
SCHEMBL29403778 0.74 TDP1 (0.52) CA1CA12CA7CA9CA13
SCHEMBL3556418 0.74 CA1 (0.44) CA1CA12CA7CA9CA13
SCHEMBL5580413 0.71 CA1 (0.41) CA1CA12CA7CA9CA13
SCHEMBL3563058 0.70 MAPT (0.40) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL1332772 0.70 BRD4 (0.43) CA1CA12CA7CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD (JP) 2006-04-27 US disclosed
EP-1505068-A1 PYRAZOLO (1,5-a) PYRIMIDINE DERIVATIVE AND NAD(P)H OXIDASE INHIBITOR CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2005-02-09 EP disclosed
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed
EP-1057825-A1 ISOFLAVANE DERIVATIVES AND IMMUNOPOTENTIATING COMPOSITIONS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2000-12-06 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 (1 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-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same NADK, PNPO, NQO1 CA1 3462/4885CA12 4734/4885CA7 3602/4885

“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.