SCHEMBL5013674

SCHEMBL5013674

Cc1nc(-c2ccccc2)oc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 5/20 0.44
PPARD Q03181 3/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
IKBKB O14920 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL14382241 0.84 GAA (0.47) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL2419932 0.82 ALDH1A1 (0.47) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL6377222 0.82 KDM4E (0.51) NOTUMGAAKDM4EPPARDFFAR1
SCHEMBL6376282 0.82 GAA (0.46) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL4553353 0.81 GAA (0.45) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL14382242 0.81 KDM4E (0.47) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL820892 0.79 GAA (0.48) NOTUMGAAKDM4EPPARDFFAR1
SCHEMBL4435376 0.79 GAA (0.44) GAAKDM4EPPARDFFAR1NPC1
SCHEMBL4427114 0.79 VDR (0.50) GAAKDM4EPPARDFFAR1VDR
SCHEMBL3795755 0.78 KDM4E (0.63) GAAKDM4EPPARDFFAR1SMN1; SMN2

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 4 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

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 NOTUM 388/4885GAA 53/4885KDM4E 3446/4885

“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.