SCHEMBL661830

SCHEMBL661830

Cc1cc(Cl)c(OCCc2ccc(Br)cc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 4/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
REN P00797 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL662629 0.93 MAPT (0.43) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL662025 0.89 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL662977 0.85 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL8409247 0.85 MAOB (0.40) MAOAMAOBTAAR1
SCHEMBL8407347 0.82 KDM4E (0.39) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5069445 0.82 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL662083 0.81 MAPT (0.43) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL1751411 0.81 MAPT (0.49) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL8407758 0.79 MAPT (0.42) MAPTHPGDMAPK1L3MBTL1MAOA
SCHEMBL8409310 0.78 FFAR1 (0.37) MAPTHPGDMAPK1L3MBTL1KMT2A

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 MAPT 3436/4885HPGD 559/4885MAPK1 830/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MAPT 3785/4885HPGD 523/4885MAPK1 497/4885

“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.