SCHEMBL3555765

SCHEMBL3555765

COc1cc(O)c(N[C]=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERN1 O75460 1/20 0.49
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 4/20 0.40
MAOB P27338 2/20 0.40
HPGD P15428 2/20 0.40
CHRNA7 P36544 2/20 0.40
NFKB1 P19838 1/20 0.38
DPP4 P27487 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 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
SCHEMBL3555814 0.89 CYP3A4 (0.48) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3559875 0.88 MAOB (0.46) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3557737 0.87 ALDH1A1 (0.41) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3559775 0.82 CYP3A4 (0.48) CYP3A4MAOBPOLBGAAMAPT
SCHEMBL3553661 0.81 FFAR4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3555769 0.76 ERN1 (0.57) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3558547 0.72 ACHE (0.46) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4445709 0.71 CYP3A4 (0.59) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL3557567 0.71 CYP3A4 (0.36) CYP3A4HPGDGAAKMT2AMEN1
SCHEMBL28370780 0.71 CYP3A4 (0.76) CYP3A4USP2MAPK1SMN1; SMN2ERN1

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 CYP3A4 300/4885USP2 4556/4885MAPK1 923/4885

“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.