SCHEMBL3559876

SCHEMBL3559876

COc1cc(O)cc(O)c1NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
ERN1 O75460 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
APP P05067 3/20 0.41
SYNJ2 O15056 1/20 0.41
ALDH1A1 P00352 2/20 0.40
AOX1 Q06278 1/20 0.40
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MEN1 O00255 1/20 0.39
KCNA3 P22001 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3559778 0.91 CYP3A4 (0.48) MAOBMAPTCYP3A4ERN1TDP1
SCHEMBL3555769 0.88 ERN1 (0.57) MAOBMAPTCYP3A4ERN1TDP1
SCHEMBL3557571 0.80 ALDH1A1 (0.38) MAPTCYP3A4TDP1SYNJ2ALDH1A1
SCHEMBL3555817 0.79 ERN1 (0.50) MAOBMAPTCYP3A4ERN1ALDH1A1
SCHEMBL3559875 0.75 MAOB (0.46) MAOBMAPTCYP3A4ERN1TDP1
SCHEMBL3557740 0.73 ERN1 (0.47) MAPTCYP3A4ERN1TDP1ALDH1A1
SCHEMBL3558550 0.73 ERN1 (0.47) MAPTERN1TDP1ALDH1A1MEN1
SCHEMBL1002616 0.72 ERN1 (0.76) MAOBMAPTCYP3A4ERN1TDP1
SCHEMBL29459677 0.72 ERN1 (0.76) MAOBMAPTCYP3A4ERN1TDP1
SCHEMBL10684950 0.72 ALDH1A1 (0.52) MAPTTDP1ALDH1A1AOX1TRIM24

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 MAOB 45/4885MAPT 2839/4885CYP3A4 300/4885

“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.