SCHEMBL13664424

SCHEMBL13664424

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4c(c3)OCCO4)c2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.45
RAB9A P51151 11/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALOX15 P16050 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL13664356 0.95 TSHR (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13664373 0.89 POLB (0.46) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL13664143 0.89 POLB (0.46) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL13664403 0.87 L3MBTL1 (0.46) NPC1KMT2AMEN1MAPTPOLB
SCHEMBL13664372 0.87 CNR1 (0.47) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664347 0.87 CNR1 (0.43) KMT2AMEN1MAPTPOLBGAA
SCHEMBL13664389 0.86 DRD3 (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664474 0.86 RAB9A (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13664404 0.86 CNR1 (0.46) KMT2AMEN1MAPTPOLBGAA
SCHEMBL13664352 0.86 GAA (0.44) NPC1RAB9AKMT2AMEN1MAPT

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 1252/4885KMT2A 3722/4885

“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.