SCHEMBL5800959

SCHEMBL5800959

NC(=O)c1cncc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
CDK5 Q00535 3/20 0.41
DYRK1A Q13627 3/20 0.41
CLK1 P49759 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CLK2 P49760 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
CLK3 P49761 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 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
SCHEMBL29900258 0.87 KDM4E (0.57) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL587140 0.82 KDM4C (0.50) SIRT3TDP1KDM4EMEN1KDM6B
SCHEMBL4040801 0.81 KDM4E (0.55) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL1121657 0.81 KDM4E (0.50) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL30241191 0.81 KDM4E (0.50) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL27583246 0.79 KDM4E (0.49) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL1330970 0.77 TDP1 (0.67) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL1687197 0.77 TDP1 (0.67) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL7097869 0.77 SIRT3 (0.47) SIRT3TDP1KDM4EHTTCDK5
SCHEMBL29715971 0.77 LCK (0.43) SIRT3TDP1KDM4EHTTCDK5

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
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 SIRT3 2007/4885TDP1 4229/4885KDM4E 2664/4885

“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.