SCHEMBL3598134

SCHEMBL3598134

CCOC(=O)COc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
TLR9 Q9NR96 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
S1PR4 O95977 1/20 0.50
ITGA4 P13612 1/20 0.50
S1PR1 P21453 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL11241296 0.92 RAB9A (0.49) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL16792371 0.90 NLRP3 (0.48) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL16792345 0.90 PTPN7 (0.53) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL29860136 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL30581469 0.87 KDM4E (0.65) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL13099833 0.87 KDM4E (0.65) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL7996901 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL11245888 0.84 RAB9A (0.54) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL216351 0.83 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA
SCHEMBL5799758 0.82 ALDH1A1 (0.54) ALDH1A1NPSR1MAPTSMN1; SMN2LMNA

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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
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 (2 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885NPSR1 650/4885MAPT 4758/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ALDH1A1 1117/4885NPSR1 173/4885MAPT 4590/4885

“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.