SCHEMBL662068

SCHEMBL662068

Cc1cc(Cl)c(OCCOc2ccc(C=C(C#N)C(=O)N(Cc3cccc(Cl)c3Cl)CC(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
REN P00797 13/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL662067 1.00 CYP3A4 (0.46) CYP3A4RENKDM4EALDH1A1RECQL
SCHEMBL661246 0.78 REN (0.48) CYP3A4REN
SCHEMBL661171 0.76 REN (0.62) CYP3A4REN
SCHEMBL660737 0.75 KDM4E (0.46) CYP3A4KDM4EALDH1A1MAPT
SCHEMBL660736 0.75 KDM4E (0.46) CYP3A4KDM4EALDH1A1MAPT
SCHEMBL661968 0.75 REN (0.60) CYP3A4REN
SCHEMBL661967 0.75 REN (0.60) CYP3A4REN
SCHEMBL663721 0.74 REN (0.51) CYP3A4REN
SCHEMBL662534 0.74 ALDH1A1 (0.47) KDM4EALDH1A1RECQLSAE1UBA2
SCHEMBL662482 0.65 REN (0.66) CYP3A4REN

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 CYP3A4 774/4885REN 1/4885KDM4E 3884/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT CYP3A4 531/4885REN 1/4885KDM4E 3615/4885

“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.