SCHEMBL13664467

SCHEMBL13664467

COc1cc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ABCB1 P08183 1/20 0.43
MAPT P10636 5/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13664483 0.92 CNR1 (0.40) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL13664143 0.90 POLB (0.46) L3MBTL1GAALMNAMEN1KMT2A
SCHEMBL13664373 0.90 POLB (0.46) L3MBTL1GAALMNAMEN1KMT2A
SCHEMBL13664310 0.89 CFTR (0.46) ALDH1A1L3MBTL1GAAHPGDKMT2A
SCHEMBL13664426 0.89 POLB (0.42) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL13664403 0.89 L3MBTL1 (0.46) L3MBTL1GAALMNAMEN1KMT2A
SCHEMBL13664364 0.88 DRD4 (0.50) ALDH1A1L3MBTL1GAAHPGDMEN1
SCHEMBL13664365 0.88 CFTR (0.46) ALDH1A1L3MBTL1GAALMNAABCB1
SCHEMBL13664429 0.88 CFTR (0.43) ALDH1A1L3MBTL1GAAHPGDLMNA
SCHEMBL13664458 0.88 CFTR (0.43) KDM4EALDH1A1L3MBTL1GAAHPGD

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 KDM4E 3380/4885ALDH1A1 3415/4885L3MBTL1 3707/4885

“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.