SCHEMBL5853558

SCHEMBL5853558

O=C(O)c1cc(-c2ccccc2)cc(N2CCCC2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
HPGD P15428 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RXFP1 Q9HBX9 1/20 0.47
BRD4 O60885 1/20 0.46
BRDT Q58F21 1/20 0.46
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46

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
SCHEMBL5854074 0.88 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL2174227 0.88 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL2173190 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5219110 0.85 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL27691351 0.80 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5222704 0.80 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5218087 0.80 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5222712 0.80 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5177442 0.79 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL2202549 0.79 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD

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-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 ALDH1A1 1848/4885CYP1A2 878/4885CYP2D6 2819/4885

“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.