SCHEMBL5799758

SCHEMBL5799758

CCOC(=O)COc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 2/20 0.54
TLR9 Q9NR96 2/20 0.54
NPC1 O15118 1/20 0.54
S1PR4 O95977 1/20 0.54
ITGA4 P13612 1/20 0.54
S1PR1 P21453 1/20 0.54
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.49
POLB P06746 3/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL7996901 0.86 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL13099833 0.86 KDM4E (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL30581469 0.86 KDM4E (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL216351 0.85 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL22326014 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NPSR1RAB9A
SCHEMBL907922 0.83 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL3598134 0.82 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL5417319 0.82 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2418253 0.82 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL7447406 0.79 MAPK1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ALDH1A1 1117/4885MAPT 4590/4885SMN1; SMN2 4223/4885

“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.