SCHEMBL5010347

SCHEMBL5010347

CCCCN(Cc1cccnc1)C(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5010758 0.95 F2 (0.39) HTTRECQLHDAC1HDAC6HDAC3
SCHEMBL5010616 0.92 HDAC1 (0.45) HTTRECQLHSP90AA1HDAC1HDAC6
SCHEMBL5010390 0.86 HTT (0.47) HTTRECQLHSP90AA1ALDH1A1MEN1
SCHEMBL5012277 0.84 HTT (0.46) HTTRECQLHSP90AA1ALDH1A1GAA
SCHEMBL14587647 0.83 NTRK1 (0.44) HTTRECQLHDAC1HDAC6HDAC3
SCHEMBL14587662 0.82 HDAC1 (0.40) HTTRECQLHSP90AA1HDAC1HDAC6
SCHEMBL5008526 0.82 PPARG (0.45) HTTHDAC1HDAC6HDAC3HDAC7
Hydrochloric Acid SCHEMBL5008432 0.82 NTRK1 (0.43) HTTRECQLHDAC1HDAC6HDAC3
SCHEMBL5009786 0.82 USP2 (0.43) HTTRECQLHSP90AA1ALDH1A1KDM4E
SCHEMBL5010768 0.82 ALDH1A1 (0.43) HTTHDAC1HDAC6ALDH1A1MEN1

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 766/4885HSP90AA1 4004/4885

“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.