SCHEMBL1167339

SCHEMBL1167339

CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3cccc(CO)c3)n2)o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.60
HCRTR1 O43613 5/20 0.60
FPR2 P25090 5/20 0.55
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL1167025 0.94 HCRTR2 (0.58) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166379 0.91 HCRTR2 (0.58) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166977 0.91 HCRTR2 (0.58) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166557 0.91 HCRTR2 (0.58) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166019 0.91 HCRTR2 (0.61) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166694 0.91 HCRTR2 (0.72) HCRTR2HCRTR1FPR2MEN1KMT2A
SCHEMBL1166206 0.90 HCRTR2 (0.60) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166243 0.90 HCRTR2 (0.60) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1165969 0.90 HCRTR2 (0.56) HCRTR2HCRTR1FPR2TSHRALDH1A1
SCHEMBL1166987 0.90 FPR2 (0.68) HCRTR2HCRTR1FPR2TSHRALDH1A1

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 HCRTR2 2700/4885HCRTR1 2862/4885FPR2 1074/4885

“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.