SCHEMBL3557571

SCHEMBL3557571

O=CNc1c(O)cc(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM5A P29375 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 1/20 0.34
FASN P49327 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33

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
SCHEMBL3555817 0.81 ERN1 (0.50) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL3559876 0.80 MAOB (0.46) ALDH1A1POLBGAAMAPTTDP1
SCHEMBL8716465 0.76 CYP3A4 (0.46) ALDH1A1KDM5AKDM4EGAAMAPT
SCHEMBL3562175 0.75 ERN1 (0.43) ALDH1A1KDM5APOLBL3MBTL1KDM4E
SCHEMBL3562018 0.75 KDM5A (0.61) ALDH1A1KDM5APOLBL3MBTL1KDM4E
SCHEMBL3559778 0.72 CYP3A4 (0.48) ALDH1A1MAPTTDP1CYP3A4HPGD
SCHEMBL3555769 0.71 ERN1 (0.57) ALDH1A1KDM4EMAPTTDP1MEN1
Formic Acid SCHEMBL2160962 0.70 KDM4E (0.42) ALDH1A1POLBL3MBTL1KDM4EEGFR
SCHEMBL5462199 0.70 ALDH1A1 (0.42) ALDH1A1KDM5APOLBL3MBTL1KDM4E
SCHEMBL8245294 0.70 KDM5A (0.61) ALDH1A1KDM5APOLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349324-A Fluorescent polylactic acid composite material and preparation method thereof 广安长明高端产业技术研究院 2020-06-30 CN disclosed
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 ALDH1A1 85/4885KDM5A 1323/4885POLB 503/4885

“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.