SCHEMBL13664481

SCHEMBL13664481

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3I)c(NCCCNC(=O)c3ccc4nc[nH]c4c3)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 3/20 0.41
HTT P42858 1/20 0.40
CNR1 P21554 6/20 0.39
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 2/20 0.37
CASP6 P55212 1/20 0.36
MAPK8 P45983 1/20 0.36
PSMD14 O00487 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
SCHEMBL13664381 0.90 L3MBTL1 (0.49) L3MBTL1LMNAPOLBHTTCNR1
SCHEMBL13664278 0.82 CNR1 (0.39) L3MBTL1POLBCNR1TDP1GAA
SCHEMBL13664482 0.81 CNR1 (0.38) L3MBTL1POLBCNR1TDP1GAA
SCHEMBL13664417 0.80 ALDH1A1 (0.39) L3MBTL1POLBCNR1TDP1SMN1; SMN2
SCHEMBL13664385 0.80 L3MBTL1 (0.38) L3MBTL1POLBCNR1TDP1NPC1
SCHEMBL13664413 0.79 NPC1 (0.45) L3MBTL1POLBCNR1TDP1NPC1
SCHEMBL13664531 0.79 POLB (0.41) L3MBTL1LMNAPOLBCNR1TDP1
SCHEMBL13664148 0.79 POLB (0.41) L3MBTL1POLBCNR1TDP1NPC1
SCHEMBL13664373 0.78 POLB (0.46) L3MBTL1LMNAPOLBCNR1TDP1
SCHEMBL13664143 0.78 POLB (0.46) L3MBTL1LMNAPOLBCNR1TDP1

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 L3MBTL1 3707/4885LMNA 4188/4885POLB 4851/4885

“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.