SCHEMBL5012227

SCHEMBL5012227

Cc1ccc(F)cc1C(=O)Nc1cc(C(=O)NCc2ccccc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
PPARG P37231 3/20 0.45
PARP1 P09874 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
AVPR2 P30518 1/20 0.45
OXTR P30559 1/20 0.45
AVPR1A P37288 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.44
MMP13 P45452 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MIF P14174 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL5008281 0.90 SMN1; SMN2 (0.55) HTTPPARGCYP1A2CYP2C19CYP2D6
SCHEMBL5013518 0.88 HSP90AA1 (0.46) PPARGCYP1A2CYP2C19KMT2AMMP13
SCHEMBL5013581 0.88 PPARG (0.55) PPARGCYP1A2CYP2C19KMT2AMMP13
SCHEMBL5012232 0.88 JAK2 (0.48) PPARGCYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL5013532 0.87 HPGD (0.52) HTTPPARGSMN1; SMN2KMT2AHPGD
SCHEMBL5013503 0.86 PPARG (0.50) PPARGCYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL5008318 0.86 PPARG (0.47) HTTPPARGCYP1A2CYP2C19KMT2A
SCHEMBL5010346 0.84 PPARG (0.48) HTTPPARGCYP1A2CYP2C19CYP2D6
SCHEMBL5009769 0.84 PPARG (0.47) PPARGCYP1A2CYP2C19KMT2AMMP13
SCHEMBL5009734 0.82 CYP1A2 (0.47) PPARGCYP1A2CYP2C19CYP2D6SMN1; SMN2

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 HTT 4237/4885PPARG 706/4885PARP1 1780/4885

“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.