SCHEMBL3562018

SCHEMBL3562018

O=CNc1ccc(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.61
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.43
CXCR1 P25024 1/20 0.42
CES2 O00748 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL8245294 0.83 KDM5A (0.61) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7745183 0.81 KDM5A (0.59) KDM5AALDH1A1KDM4EPOLBGAA
SCHEMBL6838321 0.79 KDM5A (0.58) KDM5AALDH1A1KDM4EGAATDP1
SCHEMBL13367921 0.79 KDM5A (0.58) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL14540950 0.79 KDM5A (0.44) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL9005854 0.79 KDM5A (0.44) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL31432473 0.79 TRIM24 (0.56) KDM5AALDH1A1KDM4EPOLBGAA
SCHEMBL28620707 0.79 KDM5A (0.55) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL5781231 0.76 KDM5A (1.00) KDM5AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL5464068 0.75 CYP3A4 (0.53) KDM5AALDH1A1KDM4EPOLBL3MBTL1

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 3 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

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 KDM5A 1323/4885ALDH1A1 85/4885KDM4E 3108/4885

“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.