SCHEMBL5013595

SCHEMBL5013595

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
ALPL P05186 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PYGL P06737 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14587734 0.92 CYP2C19 (0.40) HTTRECQLALPLNPC1RAB9A
Hydrochloric Acid SCHEMBL5012305 0.92 CYP2C19 (0.40) HTTRECQLALPLNPC1RAB9A
SCHEMBL5012277 0.92 HTT (0.46) HTTRECQLALPLNPC1RAB9A
SCHEMBL5012141 0.91 HTT (0.43) HTTRECQLALPLNPC1RAB9A
SCHEMBL5010390 0.89 HTT (0.47) HTTRECQLNPC1RAB9APOLB
SCHEMBL5009786 0.89 USP2 (0.43) HTTRECQLNPC1RAB9APOLB
SCHEMBL5009816 0.87 HTT (0.43) HTTRECQLNPC1RAB9APOLB
SCHEMBL14587649 0.85 HTT (0.44) HTTRECQLNPC1RAB9APOLB
SCHEMBL5008526 0.84 PPARG (0.45) HTTNPC1RAB9ACYP2C19ALDH1A1
SCHEMBL5009738 0.84 ALDH1A1 (0.42) HTTRECQLRAB9AALDH1A1HPGD

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 766/4885ALPL 101/4885

“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.