SCHEMBL3562013

SCHEMBL3562013

O=[C]Nc1ccc(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.42
CES2 O00748 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
TYR P14679 1/20 0.37
ALOX5 P09917 2/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5464062 0.75 TSHR (0.53) ALDH1A1TSHRMAPTRAB9AMEN1
SCHEMBL3557567 0.75 CYP3A4 (0.36) CES2CA12CA1CA2CA7
SCHEMBL24418218 0.74 CXCR1 (0.44) CXCR1CES2CA12CA1CA2
SCHEMBL1939409 0.73 GAA (0.45) CA12CA2CA9CA14ALDH1A1
SCHEMBL6757211 0.72 CXCR1 (0.43) CXCR1CES2CA12CA1CA2
SCHEMBL5610326 0.71 SELL (0.37) CA1CA2ALDH1A1
SCHEMBL10467336 0.71 MAPT (0.42) CES2ALDH1A1GFERTYRPOLB
SCHEMBL28347412 0.70 ALDH1A1 (0.47) CXCR1CES2CA12CA1CA2
SCHEMBL10933664 0.70 IDO1 (0.45) CXCR1CES2CA12CA1CA2
SCHEMBL3562018 0.70 KDM5A (0.61) CXCR1CES2CA12CA1CA2

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 CXCR1 1829/4885CES2 1501/4885CA12 4734/4885

“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.