SCHEMBL1166445

SCHEMBL1166445

CC(=O)c1ccc(Cn2cc(NC(=O)C=Cc3ccc(C)cc3)cn2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 2/20 0.54
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
EGFR P00533 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 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
SCHEMBL1168588 1.00 TAS2R8 (0.54) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1166442 1.00 TAS2R8 (0.54) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1166052 0.91 TAS2R8 (0.51) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1166054 0.91 TAS2R8 (0.51) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1168081 0.91 TAS2R8 (0.51) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1167303 0.91 TAS2R8 (0.62) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1167305 0.91 TAS2R8 (0.62) TAS2R8SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1167286 0.90 TAS2R8 (0.49) TAS2R8SMN1; SMN2LMNAALDH1A1HCRTR1
SCHEMBL1166231 0.90 TAS2R8 (0.49) TAS2R8SMN1; SMN2LMNAALDH1A1HCRTR1
SCHEMBL1166233 0.90 TAS2R8 (0.49) TAS2R8SMN1; SMN2LMNAALDH1A1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
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 TAS2R8 1765/4885SMN1; SMN2 4612/4885LMNA 4005/4885

“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.