SCHEMBL5800982

SCHEMBL5800982

O=[N+]([O-])c1ccc2c(c1)CN=CN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
PNMT P11086 4/20 0.47
ADRA2A P08913 2/20 0.47
TDP2 O95551 1/20 0.45
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
HPGD P15428 1/20 0.43
PDE4D Q08499 1/20 0.43
CHRM1 P11229 1/20 0.42
NOS1 P29475 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 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
SCHEMBL17824669 0.72 CA2 (0.49) PLAUPNMTADRA2ALMNAADRA2B
SCHEMBL5802281 0.72 PLAU (0.55) PLAUADRA2AMAPTMEN1KMT2A
SCHEMBL8471105 0.71 PNMT (0.45) PNMTADRA2ATDP2CAPN9CASP3
SCHEMBL655625 0.69 PNMT (0.50) PNMTADRA2ATDP2CAPN9CASP3
SCHEMBL200716 0.69 PNMT (0.58) PNMTADRA2ATDP2CAPN9CASP3
SCHEMBL987760 0.69 TLR9 (0.79) PNMTADRA2ATDP2MAPTMEN1
SCHEMBL30049268 0.69 TLR9 (0.79) PNMTADRA2ATDP2MAPTMEN1
Methane SCHEMBL27508397 0.68 PNMT (0.57) PNMTADRA2ATDP2CAPN9CASP3
SCHEMBL19954 0.68 PGR (0.71) TDP2CAPN9CASP3MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28209706 0.68 PNMT (0.57) PNMTADRA2ATDP2CAPN9CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLAU 4746/4885PNMT 884/4885ADRA2A 364/4885

“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.