SCHEMBL4251117

SCHEMBL4251117

COc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
RAB9A P51151 7/20 0.76
NPC1 O15118 6/20 0.76
ALDH1A1 P00352 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
PKM P14618 2/20 0.76
LMNA P02545 2/20 0.76
QSOX1 O00391 1/20 0.76
KMT2A Q03164 4/20 0.71
NR4A1 P22736 1/20 0.71
MCL1 Q07820 1/20 0.71
TSHR P16473 2/20 0.69
ALOX15 P16050 1/20 0.69
HSD17B10 Q99714 2/20 0.69
TP53 P04637 3/20 0.67
KDM4E B2RXH2 2/20 0.67
NLRP3 Q96P20 1/20 0.64
TRPV1 Q8NER1 2/20 0.62
RXFP1 Q9HBX9 1/20 0.61
GFER P55789 1/20 0.61

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
SCHEMBL4256420 0.99 RAB9A (0.78) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL18641345 0.86 RAB9A (1.00) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8292347 0.85 MAPT (0.97) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10055020 0.84 NPC1 (0.94) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL13856556 0.83 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4256368 0.81 NPC1 (1.00) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL13930689 0.81 MAPT (0.70) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5681277 0.81 MAPT (0.54) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4390256 0.81 TP53 (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3642495 0.80 TAAR1 (0.79)

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-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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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 759/4885RAB9A 733/4885NPC1 869/4885

“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.