SCHEMBL14587777

SCHEMBL14587777

O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.44
PPARG P37231 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNA1G O43497 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
NTRK1 P04629 4/20 0.40
KLK1 P06870 1/20 0.38
PARP1 P09874 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
SCHEMBL14587790 0.99 KLKB1 (0.44) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587778 0.92 PPARG (0.52) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587673 0.92 PPARG (0.42) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587789 0.92 KLKB1 (0.48) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587679 0.91 PPARG (0.42) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587664 0.91 PPARG (0.42) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587788 0.88 PPARG (0.42) KLKB1PPARGCACNA1HCACNA1GCACNA1I
SCHEMBL14587697 0.85 PPARG (0.46) PPARGNTRK1
SCHEMBL14301499 0.85 PPARG (0.46) PPARGNTRK1
SCHEMBL14587669 0.83 MERTK (0.48) PPARGNTRK1

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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KLKB1 3656/4885PPARG 706/4885CACNA1H 3900/4885

“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.