SCHEMBL5010820

SCHEMBL5010820

CCCCN(C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1)c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ADRB2 P07550 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PYGL P06737 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 2/20 0.34
HDAC1 Q13547 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5013610 0.92 HTT (0.45) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL5012188 0.90 HTT (0.42) HTTRECQLKMT2ANPC1RAB9A
SCHEMBL5008214 0.90 HTT (0.41) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL14587761 0.90 HTT (0.39) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL5013398 0.89 HTT (0.44) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL5010563 0.86 HTT (0.41) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL5010664 0.85 HTT (0.41) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL14297710 0.84 CYP2C19 (0.41) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL14587757 0.84 ALDH1A1 (0.47) HTTRECQLALDH1A1KMT2ATDP1
SCHEMBL5010646 0.83 CYP2C19 (0.41) HTTRECQLALDH1A1KMT2ATDP1

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 4237/4885RECQL 766/4885ALDH1A1 1278/4885

“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.