SCHEMBL5010776

SCHEMBL5010776

O=C(NCc1ccccc1)c1cc(NC(=O)c2ccc(Cl)cc2Cl)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
CNR1 P21554 1/20 0.50
HPGD P15428 2/20 0.49
SRC P12931 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTNNB1 P35222 1/20 0.48
TCF7L2 Q9NQB0 1/20 0.48
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 3/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5013503 0.89 PPARG (0.50) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5009734 0.89 CYP1A2 (0.47) GAAALDH1A1SMN1; SMN2CNR1HPGD
SCHEMBL14587853 0.89 GAA (0.70) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5010394 0.88 PPARG (0.51) GAAALDH1A1SMN1; SMN2CNR1HPGD
SCHEMBL5010363 0.87 GAA (0.52) GAASMN1; SMN2LMNAHTTHPGD
SCHEMBL5012232 0.87 JAK2 (0.48) GAAALDH1A1SMN1; SMN2LMNACNR1
SCHEMBL5010405 0.86 PPARG (0.59) ALDH1A1NPC1RAB9APPARGMMP13
SCHEMBL5012123 0.84 HPGD (0.50) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL5013486 0.83 PPARG (0.54) GAAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL5012093 0.83 ADORA2A (0.47) ALDH1A1SMN1; SMN2HTTHPGDCYP1A2

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 GAA 53/4885ALDH1A1 1278/4885SMN1; SMN2 4705/4885

“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.