SCHEMBL5010768

SCHEMBL5010768

O=C(O)CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
NTRK1 P04629 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5008526 0.93 PPARG (0.45) ALDH1A1KMT2ATDP1PPARGNPC1
SCHEMBL5010616 0.90 HDAC1 (0.45) ALDH1A1PPARGPKMHTTNTRK1
SCHEMBL14587647 0.90 NTRK1 (0.44) ALDH1A1KMT2ATDP1PPARGNPC1
SCHEMBL5008428 0.90 SMN1; SMN2 (0.42) ALDH1A1KMT2APPARGNPC1RAB9A
SCHEMBL5012125 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ATDP1PPARGNPC1
Hydrochloric Acid SCHEMBL5008432 0.89 NTRK1 (0.43) ALDH1A1KMT2ATDP1PPARGNPC1
SCHEMBL14587756 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1PPARGNPC1
SCHEMBL5009724 0.85 HSP90AA1 (0.45) ALDH1A1KMT2APPARGNPC1RAB9A
SCHEMBL5013487 0.84 PPARG (0.43) ALDH1A1KMT2ATDP1PPARGNPC1
SCHEMBL14587757 0.84 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1PPARGNPC1

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 ALDH1A1 1278/4885KMT2A 4487/4885TDP1 2797/4885

“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.