SCHEMBL5013596

SCHEMBL5013596

O=C(NCc1ccccc1)c1cc(NC(=O)c2cccc(F)c2Cl)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.50
PPARG P37231 6/20 0.47
MMP13 P45452 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 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
SCHEMBL5010394 0.86 PPARG (0.51) PPARGMMP13ALDH1A1CYP1A2CYP2C19
SCHEMBL5010405 0.86 PPARG (0.59) PPARGMMP13ALDH1A1
SCHEMBL5010346 0.83 PPARG (0.48) PPARGMMP13KMT2AALDH1A1CYP1A2
SCHEMBL5013503 0.83 PPARG (0.50) PPARGMMP13KMT2AALDH1A1CYP1A2
SCHEMBL5013581 0.83 PPARG (0.55) PPARGMMP13KMT2ACYP1A2CYP2C19
SCHEMBL5009903 0.82 SMN1; SMN2 (0.50) PPARGMMP13KMT2AALDH1A1CYP1A2
SCHEMBL14587707 0.81 PPARG (0.51) PPARGALDH1A1
SCHEMBL5008255 0.81 TSHR (0.45) PPARGMMP13KMT2ACYP1A2CYP2C19
SCHEMBL5013518 0.81 HSP90AA1 (0.46) PPARGMMP13KMT2ACYP1A2CYP2C19
SCHEMBL5010776 0.81 GAA (0.56) PPARGMMP13KMT2AALDH1A1CYP1A2

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 ALDH2 1197/4885PPARG 706/4885MMP13 1931/4885

“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.