SCHEMBL3556418

SCHEMBL3556418

COc1c(O)ccc(NC=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
KDM5A P29375 2/20 0.42
ESR2 Q92731 1/20 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
TRIM24 O15164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
ERN1 O75460 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
OR51E2 Q9H255 1/20 0.37
ADRB2 P07550 4/20 0.36
ADRB1 P08588 3/20 0.36
DRD2 P14416 2/20 0.36

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
SCHEMBL3564882 0.87 CA1 (0.43) CA1CA2KDM5AESR2CA12
SCHEMBL3567490 0.79 HTT (0.42) ALDH1A1TDP1ERN1HPGDTSHR
SCHEMBL3572871 0.79 ERN1 (0.44) KDM5AALDH1A1TDP1ERN1HPGD
SCHEMBL3570350 0.75 MAPT (0.49) CA1KDM5ACA12CA7CA9
SCHEMBL69925 0.74 TDP1 (0.52) CA1CA2ESR2CA12CA7
SCHEMBL29403778 0.74 TDP1 (0.52) CA1CA2ESR2CA12CA7
SCHEMBL3556415 0.74 CA1 (0.38) CA1CA2ESR2CA12CA7
SCHEMBL31432473 0.73 TRIM24 (0.56) KDM5ATRIM24ALDH1A1TDP1TRIM33
SCHEMBL29459741 0.71 CA1 (0.69) CA1CA2CA12CA7CA9
SCHEMBL1003414 0.71 CA1 (0.69) CA1CA2CA12CA7CA9

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 3462/4885CA2 2180/4885KDM5A 1323/4885

“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.