SCHEMBL1166992

SCHEMBL1166992

CC(=O)c1ccc(Cn2cc(NC(=O)c3nc(C)oc3-c3ccccc3)cn2)o1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.64
HCRTR1 O43613 5/20 0.64
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SCD O00767 6/20 0.46
SCD5 Q86SK9 6/20 0.46
FPR2 P25090 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ITK Q08881 1/20 0.43
GAA P10253 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43

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
SCHEMBL1166400 0.94 HCRTR2 (0.67) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1166786 0.93 HCRTR2 (0.62) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1167151 0.91 HCRTR2 (0.78) HCRTR2HCRTR1
SCHEMBL1167751 0.90 HCRTR2 (0.66) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1167173 0.90 HCRTR2 (0.66) HCRTR2HCRTR1HTTALDH1A1SCD
SCHEMBL1166921 0.90 HCRTR2 (0.66) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1167207 0.90 HCRTR2 (0.57) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1166699 0.89 HCRTR1 (0.58) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1166245 0.89 HCRTR2 (0.60) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1
SCHEMBL1166600 0.89 HCRTR2 (0.59) HCRTR2HCRTR1HTTSMN1; SMN2ALDH1A1

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 HCRTR2 2700/4885HCRTR1 2862/4885HTT 3838/4885

“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.