SCHEMBL1166631

SCHEMBL1166631

CC(F)(F)c1ccc(Cn2ccc(NC(=O)OCc3ccccc3Cl)n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 6/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
STAT3 P40763 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL1166752 0.91 SMN1; SMN2 (0.39) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1167847 0.90 SMN1; SMN2 (0.46) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1167011 0.87 CACNA1G (0.44) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL1166352 0.84 NPSR1 (0.49) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1167829 0.84 CACNA1G (0.48) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1166886 0.83 SCD5 (0.43) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1166901 0.83 NPSR1 (0.41) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1167409 0.81 CACNA1G (0.48) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1166909 0.81 NPSR1 (0.40) NPSR1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL1166472 0.81 LDHB (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1

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 8 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
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 NPSR1 578/4885SMN1; SMN2 4612/4885HPGD 735/4885

“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.