SCHEMBL4247971

SCHEMBL4247971

COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.73
ALDH1A1 P00352 13/20 0.73
KMT2A Q03164 5/20 0.73
HTT P42858 5/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
MEN1 O00255 4/20 0.73
LMNA P02545 7/20 0.69
ALOX12 P18054 3/20 0.69
HPGD P15428 3/20 0.69
MAPK1 P28482 2/20 0.64
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 2/20 0.60
PKM P14618 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
SCHEMBL4255526 0.85 MAPT (0.76) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4257494 0.84 MAPT (0.78) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4248051 0.83 TAAR1 (0.78) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4251609 0.82 MAPT (0.74) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4258370 0.82 MAPT (0.71) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4250981 0.82 MAPT (0.74) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4257098 0.80 MAPT (0.80) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL14366822 0.80 SMN1; SMN2 (0.70) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4253151 0.80 MAPT (0.71) MAPTALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL4249349 0.80 ALDH1A1 (0.72) MAPTALDH1A1KMT2AHTTSMN1; SMN2

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 MAPT 759/4885ALDH1A1 204/4885KMT2A 632/4885

“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.