SCHEMBL5013385

SCHEMBL5013385

CN(C)c1ccc(CNC(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)[nH]n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.48
CACNA1H O95180 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
PPARG P37231 10/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.41
DCLK1 O15075 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
RET P07949 1/20 0.40
FER P16591 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
FLT4 P35916 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
Hydrochloric Acid SCHEMBL5009767 0.99 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IPPARGMAPT
SCHEMBL5012080 0.90 PPARG (0.45) CACNA1GCACNA1HCACNA1IPPARGKDM4E
SCHEMBL5010706 0.89 PPARG (0.47) PPARGMAPTHTTNR1I2NPC1
SCHEMBL5013431 0.89 NPC1 (0.49) PPARGMAPTMAPK1NR1I2NPC1
SCHEMBL5013662 0.89 PPARG (0.48) PPARGTP53ALDH1A1CYP2C19NR1I2
SCHEMBL5008489 0.89 PPARG (0.51) PPARGTP53CYP2C19GSK3BNPC1
SCHEMBL5008544 0.88 PPARG (0.47) PPARGMAPTALDH1A1HTTCYP2C19
SCHEMBL14587813 0.87 PPARG (0.41) CACNA1GCACNA1HCACNA1IPPARGCYP2C19
SCHEMBL5012199 0.87 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IPPARGALDH1A1
SCHEMBL5010627 0.87 PPARG (0.47) PPARGMAPK1GSK3BNR1I2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
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
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 CACNA1G 3419/4885CACNA1H 3900/4885CACNA1I 2910/4885

“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.