SCHEMBL5010616

SCHEMBL5010616

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 2/20 0.43
HDAC3 O15379 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
LTB4R2 Q9NPC1 2/20 0.41
PARP1 P09874 1/20 0.41
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PDK1 Q15118 1/20 0.40

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
SCHEMBL5010347 0.92 HTT (0.40) HDAC1HDAC6HTTRECQLHSP90AA1
SCHEMBL14587647 0.91 NTRK1 (0.44) HDAC1HDAC6HTTRECQLHDAC3
SCHEMBL5010390 0.91 HTT (0.47) HTTRECQLHSP90AA1ALDH1A1NTRK1
SCHEMBL5008526 0.91 PPARG (0.45) HDAC1HDAC6HTTHDAC3HDAC7
Hydrochloric Acid SCHEMBL5008432 0.90 NTRK1 (0.43) HDAC1HDAC6HTTRECQLHDAC3
SCHEMBL5010768 0.90 ALDH1A1 (0.43) HDAC1HDAC6HTTPKMPPARG
SCHEMBL5008428 0.89 SMN1; SMN2 (0.42) HDAC1HDAC6HTTRECQLPPARG
SCHEMBL5012277 0.89 HTT (0.46) HTTRECQLHSP90AA1ALDH1A1NTRK1
SCHEMBL5012125 0.87 ALDH1A1 (0.39) HDAC1HDAC6HTTRECQLPPARG
SCHEMBL5013610 0.86 HTT (0.45) HDAC1HDAC6HTTRECQLPPARG

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 HDAC1 1233/4885HDAC6 1513/4885HTT 4237/4885

“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.