SCHEMBL663543

SCHEMBL663543

CC(=O)N(C)Cc1ccc(Cl)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDK2 Q15119 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
HSP90AA1 P07900 6/20 0.38
USP30 Q70CQ3 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL4704482 0.88 MEN1 (0.44) ALDH1A1MAPTHTTRAB9AERCC1
SCHEMBL30791528 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPOLBSMN1; SMN2PDK2
SCHEMBL6077647 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPOLBSMN1; SMN2PDK2
SCHEMBL3080815 0.81 HTR2C (0.40) ALDH1A1MAPTHTTRAB9AERCC1
SCHEMBL8028364 0.80 ALDH1A1 (0.51) ALDH1A1MAPTPOLBSMN1; SMN2PDK2
SCHEMBL662753 0.77 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2PDK2
SCHEMBL4700343 0.77 CDK8 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12481908 0.76 TDP1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL13154806 0.76 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2PDK2
SCHEMBL2525088 0.75 ALDH1A1 (0.50) ALDH1A1MAPTPOLBSMN1; SMN2PDK2

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 ALDH1A1 2104/4885MAPT 3436/4885POLB 2865/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT ALDH1A1 2078/4885MAPT 3785/4885POLB 2408/4885

“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.