SCHEMBL1167565

SCHEMBL1167565

CC(=O)c1ccc(Cn2cc(NC(=O)c3nc(C)sc3-c3ccccc3)cn2)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.60
HCRTR1 O43613 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SCD O00767 10/20 0.46
SCD5 Q86SK9 9/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
ITK Q08881 1/20 0.44
GAA P10253 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 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
SCHEMBL1167087 0.92 HCRTR2 (0.70) HCRTR2HCRTR1SMN1; SMN2HTTHSD17B10
SCHEMBL1166992 0.84 HCRTR2 (0.64) HCRTR2HCRTR1SMN1; SMN2HTTHSD17B10
SCHEMBL1166245 0.81 HCRTR2 (0.60) HCRTR2HCRTR1SMN1; SMN2HTTHSD17B10
SCHEMBL1167020 0.80 HCRTR2 (0.82) HCRTR2HCRTR1
SCHEMBL1166400 0.80 HCRTR2 (0.67) HCRTR2HCRTR1SMN1; SMN2HTTSCD
SCHEMBL1166600 0.80 HCRTR2 (0.59) HCRTR2HCRTR1SMN1; SMN2HTTHSD17B10
SCHEMBL1166907 0.80 HCRTR2 (0.59) HCRTR2HCRTR1SMN1; SMN2HTTSCD
SCHEMBL1167350 0.79 ALDH1A1 (0.46) HCRTR2HCRTR1SMN1; SMN2POLBSCD
SCHEMBL1166335 0.79 HCRTR2 (0.58) HCRTR2HCRTR1SMN1; SMN2HTTHSD17B10
SCHEMBL1167232 0.79 HCRTR2 (0.58) HCRTR2HCRTR1SMN1; SMN2HTTSCD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2862/4885SMN1; SMN2 4612/4885

“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.