SCHEMBL13664474

SCHEMBL13664474

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 4/20 0.41
TRPV1 Q8NER1 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38
MAPK1 P28482 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 0.91 TSHR (0.47) RAB9ANPC1KMT2AUSP2TSHR
SCHEMBL13664395 0.88 RAB9A (0.46) RAB9ANPC1KMT2AUSP2TSHR
SCHEMBL13664435 0.86 RHOC (0.43) NPC1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL13664424 0.86 NPC1 (0.45) RAB9ANPC1KMT2AUSP2TSHR
SCHEMBL13664415 0.85 RAB9A (0.42) RAB9ANPC1KMT2AUSP2TSHR
SCHEMBL13664463 0.85 RHOC (0.42) RAB9ANPC1KMT2AHPGDTRPV1
SCHEMBL13664147 0.85 RHOC (0.40) KMT2AHPGDSMN1; SMN2ALDH1A1RHOC
SCHEMBL13664475 0.83 KCNH2 (0.40) KMT2AHPGDSMN1; SMN2ALDH1A1RHOC
SCHEMBL13664437 0.83 RHOC (0.43) KMT2ASMN1; SMN2ALDH1A1RHOCRHOA
SCHEMBL13664476 0.82 MAPT (0.39) KMT2AALDH1A1RHOCRHOAHTT

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.