SCHEMBL1166052

SCHEMBL1166052

CC(=O)c1ccc(Cn2cc(NC(=O)/C=C\c3ccc(Cl)cc3)cn2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
MCHR1 Q99705 1/20 0.46
HTT P42858 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 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
SCHEMBL1166054 1.00 TAS2R8 (0.51) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1168081 1.00 TAS2R8 (0.51) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1166442 0.91 TAS2R8 (0.54) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1166445 0.91 TAS2R8 (0.54) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1168588 0.91 TAS2R8 (0.54) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1167303 0.90 TAS2R8 (0.62) TAS2R8SMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL1167305 0.90 TAS2R8 (0.62) TAS2R8SMN1; SMN2LMNAHCRTR1HCRTR2
SCHEMBL1167187 0.89 HCRTR1 (0.46) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1167190 0.89 HCRTR1 (0.46) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1
SCHEMBL1168047 0.89 HCRTR1 (0.51) TAS2R8SMN1; SMN2LMNAMAPK1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.