SCHEMBL13664485

SCHEMBL13664485

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4snnc4c3)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
THRB P10828 1/20 0.37
WDR91 A4D1P6 1/20 0.37
CNR1 P21554 3/20 0.37
BRD4 O60885 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
SCHEMBL13664446 0.88 TRPV1 (0.41) NPC1RAB9AGAAMAPTPOLB
SCHEMBL13664143 0.88 POLB (0.46) NPC1MEN1KMT2AGAAMAPT
SCHEMBL13664373 0.88 POLB (0.46) NPC1MEN1KMT2AGAAMAPT
SCHEMBL13664484 0.87 MAPT (0.40) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL13664389 0.87 DRD3 (0.42) GAAMAPTPOLBTDP1L3MBTL1
SCHEMBL13664413 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL13664403 0.86 L3MBTL1 (0.46) NPC1MEN1KMT2AGAAMAPT
SCHEMBL13664372 0.86 CNR1 (0.47) ALDH1A1GAAMAPTPOLBTDP1
SCHEMBL13664347 0.86 CNR1 (0.43) MEN1KMT2AGAAMAPTPOLB
SCHEMBL13664422 0.85 NPC1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A

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 ALDH1A1 3415/4885NPC1 2164/4885RAB9A 1252/4885

“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.