SCHEMBL13664415

SCHEMBL13664415

N#Cc1c(C(=O)c2ccc3c(c2)OCO3)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MCHR1 Q99705 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL13664148 0.88 POLB (0.41) NPC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL13664473 0.88 HDAC1 (0.42) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL13664356 0.87 TSHR (0.47) RAB9ANPC1KMT2ATSHRUSP2
SCHEMBL13664147 0.86 RHOC (0.40) KMT2AHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL13664395 0.86 RAB9A (0.46) RAB9ANPC1KMT2ATSHRUSP2
SCHEMBL13664474 0.85 RAB9A (0.43) RAB9ANPC1KMT2ATSHRUSP2
SCHEMBL13664424 0.83 NPC1 (0.45) RAB9ANPC1KMT2ATSHRUSP2
SCHEMBL13664346 0.82 HDAC1 (0.38) KMT2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL13664455 0.80 ESR1 (0.39) KMT2AHPGDHTTALDH1A1HDAC1
SCHEMBL13664578 0.77 GAA (0.38) KMT2AHPGDALDH1A1MAPTLMNA

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 RAB9A 1252/4885NPC1 2164/4885KMT2A 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.