SCHEMBL6841716

SCHEMBL6841716

COCCCOc1c(C)c[n+]([O-])cc1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.31
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL8500418 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL12936090 0.75 KDM4E (0.33) ALDH1A1
SCHEMBL28042959 0.74 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1SCN8A
SCHEMBL7951653 0.72 ACHE (0.33) SMN1; SMN2ALDH1A1
SCHEMBL13313279 0.69 KMT2A (0.49) ALDH1A1
SCHEMBL21465037 0.68 GGPS1 (0.39)
SCHEMBL28091410 0.68 MAPT (0.35) SMN1; SMN2ALDH1A1SCN8A
SCHEMBL28061526 0.68 S1PR2 (0.36) SMN1; SMN2ALDH1A1SCN8A
SCHEMBL13313284 0.67 LMNA (0.53) SMN1; SMN2ALDH1A1
SCHEMBL13349221 0.67 KMT2A (0.37) ALDH1A1

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-6806371-B2 BY MEANS OF PHASE TRANSFER CATALYSIS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-10-19 US disclosed
US-20040063957-A1 Preparation of substituted pyridine N-oxide compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-01 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-20040063957-A1 Preparation of substituted pyridine N-oxide compounds HRH2, SCO2, CBR1 SMN1; SMN2 1115/4885ALDH1A1 880/4885SCN8A 2037/4885

“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.