SCHEMBL3553665

SCHEMBL3553665

COc1cc(C)c(NC=O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
ERN1 O75460 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NQO2 P16083 2/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 3/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 3/20 0.37
MAPT P10636 1/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
APLNR P35414 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3557740 0.89 ERN1 (0.47) ERN1ALDH1A1LMNAKDM4ETDP1
SCHEMBL10500612 0.89 FFAR4 (0.47) FFAR4ERN1ALDH1A1HPGDCYP3A4
SCHEMBL3555769 0.81 ERN1 (0.57) ERN1ALDH1A1LMNAHPGDKDM4E
SCHEMBL28158837 0.81 ALDH1A1 (0.42) ERN1ALDH1A1CYP19A1LMNAKDM4E
SCHEMBL3558550 0.77 ERN1 (0.47) FFAR4ERN1ALDH1A1KDM4EGAA
SCHEMBL3612968 0.76 NMT1 (0.38) FFAR4ERN1ALDH1A1HPGDKDM4E
SCHEMBL3553661 0.75 FFAR4 (0.42) FFAR4ERN1ALDH1A1NQO2CYP19A1
SCHEMBL1911387 0.73 CYP1A2 (0.47) FFAR4ERN1ALDH1A1CYP3A4CYP1A2
SCHEMBL10965986 0.72 ALDH1A1 (0.39) ERN1ALDH1A1LMNAHTTMAPT
SCHEMBL3555817 0.72 ERN1 (0.50) ERN1ALDH1A1NQO2CYP19A1HPGD

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 FFAR4 4060/4885ERN1 1216/4885ALDH1A1 85/4885

“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.