SCHEMBL663301

SCHEMBL663301

N#CCCc1ccc(Cl)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CDK1 P06493 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.32
EIF2AK2 P19525 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1I3 Q14994 1/20 0.32

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
SCHEMBL663531 0.83 ENPP2 (0.39) MEN1KMT2ACDK1TDP1ALDH1A1
SCHEMBL30694822 0.83 ENPP2 (0.39) MEN1KMT2ACDK1TDP1ALDH1A1
SCHEMBL1071428 0.80 MEN1 (0.39) MEN1KMT2ACDK1TDP1
SCHEMBL1246997 0.77 CDK1 (0.47) CDK1TDP1PNMTTAAR1SIGMAR1
SCHEMBL4798760 0.74 MEN1 (0.44) MEN1KMT2ACDK1HIF1AEPAS1
SCHEMBL662447 0.73 CDK1 (0.40) CDK1TDP1PNMTTAAR1SIGMAR1
SCHEMBL11822451 0.73 KMT2A (0.43) MEN1KMT2ACDK1TDP1HIF1A
SCHEMBL25370150 0.73 EGFR (0.46) MEN1KMT2ACDK1TDP1ALDH1A1
SCHEMBL320553 0.73 TDP1 (0.41) MEN1KMT2ACDK1TDP1SIGMAR1
SCHEMBL663110 0.71 MEN1 (0.48) MEN1KMT2APNMTTAAR1SIGMAR1

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 MEN1 3395/4885KMT2A 4587/4885CDK1 2431/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MEN1 3226/4885KMT2A 4576/4885CDK1 1465/4885

“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.