SCHEMBL13664455

SCHEMBL13664455

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(F)cc2)c1NCCCNC(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
AR P10275 3/20 0.37
TP53 P04637 1/20 0.37
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13664147 0.94 RHOC (0.40) ESR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL13664473 0.84 HDAC1 (0.42) ESR1HDAC1HDAC2HDAC3HDAC4
SCHEMBL13664148 0.84 POLB (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13664476 0.81 MAPT (0.39) HTTMAPTARACACAMEN1
SCHEMBL13664273 0.81 MEN1 (0.42) MAPTARMEN1GAAKMT2A
SCHEMBL13664415 0.80 RAB9A (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13664435 0.79 RHOC (0.43) HTTMAPTARMEN1GAA
SCHEMBL13664474 0.79 RAB9A (0.43) HTTMAPTARMEN1GAA
SCHEMBL13664463 0.78 RHOC (0.42) HTTMAPTARTP53MEN1
SCHEMBL13664475 0.78 KCNH2 (0.40) HDAC1HDAC6HTTMAPTAR

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 ESR1 558/4885HDAC1 196/4885HDAC2 378/4885

“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.