SCHEMBL13664422

SCHEMBL13664422

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4ncsc4c3)c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.41
RAB9A P51151 8/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
CNR1 P21554 3/20 0.37
MAPK8 P45983 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KLK7 P49862 1/20 0.37
TAS1R3 Q7RTX0 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
SCHEMBL13664413 0.88 NPC1 (0.45) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13664143 0.88 POLB (0.46) NPC1MEN1KMT2APOLBTDP1
SCHEMBL13664373 0.88 POLB (0.46) NPC1MEN1KMT2APOLBTDP1
SCHEMBL13664484 0.87 MAPT (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13664537 0.87 MAPT (0.38) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13664389 0.87 DRD3 (0.42) POLBTDP1GAAMAPTL3MBTL1
SCHEMBL13664359 0.86 POLB (0.44) NPC1MEN1KMT2APOLBTDP1
SCHEMBL13664381 0.86 L3MBTL1 (0.49) NPC1RAB9AKMT2APOLBTDP1
SCHEMBL13664403 0.86 L3MBTL1 (0.46) NPC1MEN1KMT2APOLBTDP1
SCHEMBL13664347 0.86 CNR1 (0.43) MEN1KMT2APOLBTDP1GAA

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 NPC1 2164/4885RAB9A 1252/4885MEN1 3462/4885

“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.