SCHEMBL1166907

SCHEMBL1166907

CC(=O)c1ccc(Cn2cc(NC(=O)c3nc(Cc4ccccc4)oc3-c3ccccc3)cn2)o1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.59
HCRTR1 O43613 3/20 0.59
SCD O00767 12/20 0.46
SCD5 Q86SK9 12/20 0.46
ITK Q08881 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1166245 0.92 HCRTR2 (0.60) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166335 0.90 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166674 0.90 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166508 0.89 HCRTR2 (0.59) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1166992 0.89 HCRTR2 (0.64) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166600 0.86 HCRTR2 (0.59) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166994 0.85 HCRTR2 (0.53) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1167232 0.85 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5ITK
SCHEMBL1166650 0.83 FPR2 (0.51) HCRTR2HCRTR1ITKALDH1A1LMNA
SCHEMBL2327605 0.83 FPR2 (0.51) HCRTR2HCRTR1LMNA

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 2862/4885SCD 4685/4885

“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.