SCHEMBL1167293

SCHEMBL1167293

CCc1ccccc1COC(=O)Nc1ccn(Cc2ccc(C(C)=O)o2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 2/20 0.44
CACNA1G O43497 10/20 0.41
CACNA1I Q9P0X4 10/20 0.41
CACNA1H O95180 9/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
STAT3 P40763 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1166466 0.92 CACNA1G (0.51) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1166352 0.90 NPSR1 (0.49) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1166624 0.90 SMN1; SMN2 (0.53) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1166123 0.89 CACNA1G (0.47) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1167200 0.89 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1167109 0.88 NPSR1 (0.43) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1165998 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1165845 0.86 TSHR (0.42) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1166780 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4
SCHEMBL1165912 0.85 NPSR1 (0.45) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4

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 SMN1; SMN2 4612/4885NPSR1 578/4885HPGD 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.