SCHEMBL1166430

SCHEMBL1166430

CC(=O)c1ccc(Cn2ccc(NC(=O)c3nc(C(C)C)oc3-c3ccccc3)n2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
TSHR P16473 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
CACNA1G O43497 4/20 0.43
CACNA1I Q9P0X4 4/20 0.43
CACNA1H O95180 3/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ITK Q08881 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL1166301 0.88 FPR2 (0.51) FPR2TSHRMEN1KMT2AGAA
SCHEMBL2324631 0.86 FPR2 (0.49) FPR2CACNA1HHCRTR1HCRTR2
SCHEMBL1166650 0.86 FPR2 (0.51) FPR2TSHRMEN1KMT2AGAA
SCHEMBL1167537 0.86 FPR2 (0.51) FPR2TSHRMEN1KMT2AGAA
SCHEMBL1166845 0.84 FPR2 (0.50) FPR2TSHRMEN1KMT2AGAA
SCHEMBL27828445 0.84 FPR2 (0.50) FPR2TSHRMEN1KMT2AGAA
SCHEMBL1166747 0.84 FPR2 (0.49) FPR2TSHRMEN1KMT2AGAA
SCHEMBL1166299 0.84 FPR2 (0.51) FPR2TSHRMEN1KMT2AGAA
SCHEMBL1166600 0.83 HCRTR2 (0.59) GAALMNASMN1; SMN2ALDH1A1HCRTR1
SCHEMBL1166987 0.83 FPR2 (0.68) FPR2TSHRMEN1KMT2AGAA

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 1074/4885TSHR 2130/4885MEN1 2602/4885

“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.