SCHEMBL1166699

SCHEMBL1166699

CC(=O)c1ccc(Cn2cc(NC(=O)c3nc(C)oc3-c3ccccc3C)cn2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.58
HCRTR2 O43614 3/20 0.58
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SCD5 Q86SK9 6/20 0.43
SCD O00767 5/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41

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
SCHEMBL1167108 0.90 HCRTR2 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTALDH1A1
SCHEMBL1167768 0.90 HCRTR2 (0.61) HCRTR1HCRTR2GAASMN1; SMN2HTT
SCHEMBL1166992 0.89 HCRTR2 (0.64) HCRTR1HCRTR2GAASMN1; SMN2HTT
SCHEMBL1166786 0.86 HCRTR2 (0.62) HCRTR1HCRTR2GAASMN1; SMN2HTT
SCHEMBL1166400 0.85 HCRTR2 (0.67) HCRTR1HCRTR2SMN1; SMN2HTTALDH1A1
SCHEMBL1167751 0.85 HCRTR2 (0.66) HCRTR1HCRTR2SMN1; SMN2HTTALDH1A1
SCHEMBL1167151 0.84 HCRTR2 (0.78) HCRTR1HCRTR2
SCHEMBL1166817 0.83 ALDH1A1 (0.46) HCRTR1HCRTR2GAASMN1; SMN2HTT
SCHEMBL1166921 0.83 HCRTR2 (0.66) HCRTR1HCRTR2SMN1; SMN2HTTALDH1A1
SCHEMBL1167173 0.83 HCRTR2 (0.66) HCRTR1HCRTR2HTTALDH1A1HPGD

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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCRTR1 2862/4885HCRTR2 2700/4885GAA 2359/4885

“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.