SCHEMBL4254513

SCHEMBL4254513

COc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.79
ALDH1A1 P00352 5/20 0.70
HTT P42858 1/20 0.65
WDR5 P61964 1/20 0.65
JAK2 O60674 1/20 0.63
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL3647714 0.92 TAAR1 (0.82) TAAR1ALDH1A1JAK2MAPTSMN1; SMN2
SCHEMBL3638734 0.92 TAAR1 (0.82) TAAR1ALDH1A1JAK2MAPTSMN1; SMN2
SCHEMBL4257413 0.91 TAAR1 (0.81) TAAR1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL4248051 0.89 TAAR1 (0.78) TAAR1ALDH1A1HTTMAPTGAA
SCHEMBL3645707 0.89 TAAR1 (1.00) TAAR1ALDH1A1JAK2MAPTSMN1; SMN2
SCHEMBL3679927 0.84 TAAR1 (0.72) TAAR1
SCHEMBL4254287 0.81 TAAR1 (0.68) TAAR1ALDH1A1WDR5
SCHEMBL13624587 0.80 SMN1; SMN2 (0.64) ALDH1A1HTTWDR5MAPTGAA
SCHEMBL8085185 0.80 TAAR1 (0.84) TAAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4252190 0.80 ALDH1A1 (0.82) TAAR1ALDH1A1HTTMAPTL3MBTL1

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885ALDH1A1 204/4885HTT 851/4885

“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.