SCHEMBL13162016

SCHEMBL13162016

CNC(=O)c1cnccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NUDT1 P36639 1/20 0.47
MAPK1 P28482 1/20 0.45
TYK2 P29597 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM5A P29375 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
RPS6KA3 P51812 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
SCHEMBL30107188 1.00 SIRT3 (0.61) SIRT3TDP1NUDT1MAPK1TYK2
SCHEMBL30674829 0.85 KDM4C (0.49) SIRT3TDP1NUDT1MAPK1TYK2
SCHEMBL1877385 0.83 SIRT3 (0.65) SIRT3TDP1MAPK1TYK2KDM4C
SCHEMBL6882249 0.82 MAPK1 (0.48) SIRT3TDP1MAPK1TYK2L3MBTL1
SCHEMBL16676647 0.81 KDM4C (0.58) SIRT3TDP1NUDT1KDM4CMKNK1
SCHEMBL31678780 0.81 KDM4C (0.58) SIRT3TDP1NUDT1KDM4CMKNK1
SCHEMBL28828166 0.80 SIRT3 (0.56) SIRT3TDP1MAPK1TYK2SMYD3
SCHEMBL13162018 0.80 SIRT3 (0.56) SIRT3TDP1MAPK1TYK2KDM4C
SCHEMBL13162021 0.80 SIRT3 (0.56) SIRT3TDP1MAPK1TYK2SMYD3
SCHEMBL30138224 0.80 SIRT3 (0.56) SIRT3TDP1MAPK1TYK2KDM4C

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
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SIRT3 420/4885TDP1 2603/4885NUDT1 2786/4885

“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.