SCHEMBL5010499

SCHEMBL5010499

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.45
NR1H4 Q96RI1 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR1I2 O75469 1/20 0.40
ALPL P05186 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL14587766 0.92 PPARG (0.45) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5010743 0.91 PPARG (0.44) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5012114 0.90 PPARG (0.45) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5010749 0.90 PPARG (0.42) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5010906 0.90 NAMPT (0.43) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL14587765 0.90 PPARG (0.46) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5008260 0.89 PPARG (0.41) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5010546 0.89 PPARG (0.48) PPARGNR1H4EPHX2
SCHEMBL5008197 0.89 PPARG (0.46) PPARGNR1H4HDAC4HDAC1HDAC7
SCHEMBL5012304 0.88 PPARG (0.45) PPARGNR1H4HDAC4HDAC1HDAC7

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 PPARG 706/4885NR1H4 1898/4885HDAC4 1957/4885

“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.