SCHEMBL1165989

SCHEMBL1165989

CC(=O)c1ccc(Cn2cc(NC(=O)OCc3cccc(Br)c3)cn2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
ALDH1A1 P00352 6/20 0.47
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
SCD O00767 1/20 0.44
SCD5 Q86SK9 1/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL1166153 0.90 HCRTR1 (0.61) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166344 0.90 LMNA (0.51) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166519 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1LMNAHTT
SCHEMBL1166583 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1165715 0.87 ALDH1A1 (0.55) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166708 0.86 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166183 0.85 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1167856 0.84 ALDH1A1 (0.50) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166800 0.84 MEN1 (0.49) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2
SCHEMBL1166836 0.83 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1LMNASMN1; SMN2

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 HCRTR1 2862/4885HCRTR2 2700/4885ALDH1A1 96/4885

“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.