SCHEMBL2799797

SCHEMBL2799797

Cc1cc(Cl)c(OCCCl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 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
SCHEMBL3986243 0.83 MAPT (0.44) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL17087123 0.83 MAPT (0.53) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL9348258 0.82 MAPT (0.46) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL12243847 0.81 MAPT (0.56) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL65612 0.81 MAPT (0.51) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL660641 0.81 MAPT (0.51) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL2376058 0.79 MAPT (0.54) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL13313280 0.79 KMT2A (0.59) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL21854480 0.78 CYP3A4 (0.42) MAPTL3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL16994842 0.78 MAPT (0.53) MAPTL3MBTL1HPGDMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2162436-A1 NOVEL CASE OF RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-03-17 EP disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP disclosed
WO-2008141462-A9 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-01-08 WO disclosed
WO-2008141462-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 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-20100063091-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 4162/4885L3MBTL1 4814/4885HPGD 452/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 MAPT 4549/4885L3MBTL1 4235/4885HPGD 491/4885

“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.