SCHEMBL1167101

SCHEMBL1167101

CC(=O)c1ccc(Cn2ccc(NC(=O)c3nc(C)oc3-c3cccc(OC(F)(F)F)c3)n2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.55
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SCD O00767 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL1166778 0.91 TP53 (0.56) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1166044 0.89 HCRTR2 (0.56) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1166991 0.88 FPR2 (0.54) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL2324608 0.88 FPR2 (0.69) FPR2HCRTR1HCRTR2CACNA1H
SCHEMBL1167135 0.87 FPR2 (0.51) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1165767 0.87 HCRTR1 (0.55) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1166216 0.86 HCRTR1 (0.47) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1166848 0.86 SMN1; SMN2 (0.56) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1166303 0.86 HCRTR2 (0.63) FPR2TP53KDM4EHCRTR1HCRTR2
SCHEMBL1167299 0.86 FPR2 (0.55) FPR2TP53KDM4ECACNA1GCACNA1H

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 FPR2 1074/4885TP53 3386/4885KDM4E 1994/4885

“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.