SCHEMBL662410

SCHEMBL662410

CCCOC(=O)c1cc(CCCOC)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
PLA2G2A P14555 2/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HTR4 Q13639 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46
PDE10A Q9Y233 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1228082 0.88 KDM4E (0.58) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL30604170 0.80 PLA2G2A (0.61) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL30604167 0.80 PLA2G2A (0.61) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL30282986 0.79 ALDH1A1 (0.55) KDM4EPLA2G2AALDH1A1SMN1; SMN2HTR4
SCHEMBL11942312 0.79 KDM4E (0.47) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL5400497 0.78 PLA2G2A (0.65) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL31310820 0.78 PLA2G2A (0.65) KDM4EPLA2G2AALDH1A1SMN1; SMN2HPGD
SCHEMBL660585 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL31310821 0.76 ALDH1A1 (0.61) KDM4EPLA2G2AALDH1A1HPGDHSD17B10
SCHEMBL14990402 0.76 ALDH1A1 (0.61) KDM4EPLA2G2AALDH1A1HPGDHSD17B10

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 3884/4885PLA2G2A 1074/4885ALDH1A1 2104/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT KDM4E 3615/4885PLA2G2A 1398/4885ALDH1A1 2078/4885

“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.