SCHEMBL14587778

SCHEMBL14587778

O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
PARP1 P09874 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
NAMPT P43490 3/20 0.44
KLKB1 P03952 2/20 0.42
MET P08581 1/20 0.42
NPC1 O15118 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
NTRK1 P04629 1/20 0.41
TP53 P04637 1/20 0.41

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 0.93 KLKB1 (0.44) PPARGPARP1KCNQ3KCNQ2NAMPT
SCHEMBL14587777 0.92 KLKB1 (0.44) PPARGPARP1KCNQ3KCNQ2KLKB1
SCHEMBL14587789 0.91 KLKB1 (0.48) PPARGRAB9AKLKB1METCACNA1G
SCHEMBL14587673 0.91 PPARG (0.42) PPARGPARP1KLKB1CACNA1GCACNA1H
SCHEMBL14587679 0.90 PPARG (0.42) PPARGPARP1KLKB1CACNA1GCACNA1H
SCHEMBL14587664 0.90 PPARG (0.42) PPARGPARP1NAMPTKLKB1CACNA1G
SCHEMBL14587788 0.87 PPARG (0.42) PPARGKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL14301499 0.84 PPARG (0.46) PPARGRAB9ANPC1NTRK1
SCHEMBL14587697 0.84 PPARG (0.46) PPARGRAB9ANPC1NTRK1
SCHEMBL14587669 0.83 MERTK (0.48) PPARGNAMPTNTRK1

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 PPARG 706/4885PARP1 1780/4885LMNA 2123/4885

“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.