SCHEMBL13664314

SCHEMBL13664314

CCCC(=O)NCCCNc1c(C#N)c(C(=O)c2ccc(C)cc2)nn1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ABCB1 P08183 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 2/20 0.35
TP53 P04637 1/20 0.35
NPBWR1 P48145 1/20 0.35
ATM Q13315 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL13664355 0.94 L3MBTL1 (0.40) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664312 0.93 GAA (0.43) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664405 0.90 MAPT (0.42) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664362 0.90 MAPT (0.42) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664591 0.90 L3MBTL1 (0.42) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664143 0.90 POLB (0.46) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664311 0.90 GAA (0.44) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664373 0.90 POLB (0.46) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664295 0.89 GAA (0.46) GAAPOLBMAPTTDP1L3MBTL1
SCHEMBL13664316 0.89 GAA (0.41) GAAPOLBMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US 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 (1 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R GAA 2005/4885POLB 4851/4885MAPT 4701/4885

“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.