SCHEMBL3559778

SCHEMBL3559778

COc1cc(O)cc(OC)c1NC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 2/20 0.45
APP P05067 2/20 0.44
PTGS2 P35354 2/20 0.42
ALOX5 P09917 1/20 0.42
ERN1 O75460 5/20 0.42
BACE1 P56817 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CAPN1 P07384 1/20 0.38
PARP1 P09874 1/20 0.38
MAOA P21397 1/20 0.38
CTSL P07711 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
SCHEMBL3559876 0.91 MAOB (0.46) CYP3A4MAPTMAOBAPPPTGS2
SCHEMBL3555769 0.82 ERN1 (0.57) CYP3A4MAPTMAOBERN1TDP1
SCHEMBL3558550 0.82 ERN1 (0.47) MAPTERN1TDP1ALDH1A1
SCHEMBL3557740 0.82 ERN1 (0.47) CYP3A4MAPTERN1TDP1ALDH1A1
SCHEMBL10684950 0.80 ALDH1A1 (0.52) MAPTTDP1ALDH1A1AOX1TRIM24
SCHEMBL3555817 0.76 ERN1 (0.50) CYP3A4MAPTMAOBPTGS2ALOX5
SCHEMBL3559775 0.76 CYP3A4 (0.48) CYP3A4MAPTMAOBAPPPTGS2
SCHEMBL2091515 0.75 TLR2 (0.46) CYP3A4MAPTERN1ALDH1A1HPGD
SCHEMBL31093985 0.73 CYP3A4 (0.50) CYP3A4MAPTMAOBAPPPTGS2
SCHEMBL8716465 0.72 CYP3A4 (0.46) CYP3A4MAPTALDH1A1HPGDMAOA

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 300/4885MAPT 2839/4885MAOB 45/4885

“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.