SCHEMBL14587718

SCHEMBL14587718

O=C(Nc1cc(C(=O)N2CCc3ccccc3C2)n[nH]1)c1cc(F)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
BCL2 P10415 1/20 0.43
SPR P35270 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL14587716 0.82 SMN1; SMN2 (0.47) HPGDLMNAHTTHSP90AA1KMT2A
SCHEMBL14587714 0.81 HPGD (0.59) HPGDLMNAHTTPOLBSMN1; SMN2
SCHEMBL14587721 0.81 AVPR2 (0.49) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14587842 0.79 NPC1 (0.39) GAAALDH1A1HPGDLMNAHTT
SCHEMBL13933418 0.79 GRM5 (0.41) GAALMNASMN1; SMN2NPC1RAB9A
SCHEMBL14587717 0.77 SMN1; SMN2 (0.46) HPGDLMNAHTTSMN1; SMN2NPC1
SCHEMBL14587839 0.76 HPGD (0.48) ALDH1A1HPGDLMNAHTTKMT2A
SCHEMBL5012183 0.76 NPC1 (0.55) GAAALDH1A1LMNAHTTKMT2A
SCHEMBL14587835 0.74 TAS1R3 (0.48) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL3822963 0.74 PYGL (0.50) ALDH1A1HPGDLMNAHTTKMT2A

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 GAA 53/4885ALDH1A1 1278/4885HPGD 3765/4885

“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.