SCHEMBL3557740

SCHEMBL3557740

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
HTT P42858 1/20 0.41
CYP1A1 P04798 3/20 0.40
CYP1B1 Q16678 3/20 0.40
APLNR P35414 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
TUBB4A P04350 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
SCHEMBL3553665 0.89 FFAR4 (0.42) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28158837 0.87 ALDH1A1 (0.42) ERN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3555769 0.87 ERN1 (0.57) ERN1ALDH1A1LMNACYP3A4USP2
SCHEMBL3558550 0.83 ERN1 (0.47) ERN1ALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL10684950 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL3559778 0.82 CYP3A4 (0.48) ERN1ALDH1A1CYP3A4CYP1A1MAPT
SCHEMBL10500612 0.79 FFAR4 (0.47) ERN1ALDH1A1CYP3A4HTTCYP1A1
SCHEMBL3555817 0.78 ERN1 (0.50) ERN1ALDH1A1CYP1A2CYP3A4CYP1A1
SCHEMBL10965986 0.78 ALDH1A1 (0.39) ERN1ALDH1A1LMNAHTTCYP1A1
SCHEMBL2091515 0.77 TLR2 (0.46) ERN1ALDH1A1LMNACYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502198-A α-aryl or heteroaryl-substituted amide ester ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1996-03-26 US claimed
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
US-5502198-A α-aryl or heteroaryl-substituted amide ester ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1996-03-26 US 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 ERN1 1216/4885ALDH1A1 85/4885LMNA 1984/4885

“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.