SCHEMBL5010701

SCHEMBL5010701

O=C(On1nnc2ccccc21)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.45
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 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
SCHEMBL14587607 0.81 HDAC3 (0.51) SIRT2SIRT1SIRT3HDAC3HDAC4
SCHEMBL5010442 0.76 NPC1 (0.49) NPC1RAB9AGAALMNAMEN1
SCHEMBL5012183 0.74 NPC1 (0.55) NPC1RAB9AGAALMNAMEN1
SCHEMBL10324009 0.74 SIRT2 (0.51) SIRT2SIRT1SIRT3HDAC3HDAC4
SCHEMBL3822773 0.73 HPGD (0.46) NPC1RAB9AGAALMNAMAPT
SCHEMBL3822963 0.73 PYGL (0.50) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL14587627 0.72 MAPT (0.45) HDAC6NPC1RAB9AGAALMNA
SCHEMBL14587728 0.71 MAPT (0.54) NPC1RAB9AGAALMNAMEN1
SCHEMBL5010392 0.70 MAPT (0.60) HDAC6NPC1MEN1KMT2AALDH1A1
SCHEMBL14587624 0.70 RAB9A (0.56) RAB9AGAALMNAKMT2AALDH1A1

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 5 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 disclosed
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 SIRT2 2717/4885SIRT1 2068/4885SIRT3 674/4885

“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.