SCHEMBL5855154

SCHEMBL5855154

COc1cc(C(=O)OC(C)(C)C)cc(NC(=O)CCCBr)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
ADORA3 P0DMS8 5/20 0.37
ADORA1 P30542 3/20 0.37
MAPK1 P28482 1/20 0.35
AR P10275 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL23684584 0.73 ALDH1A1 (0.54) CYP1A2L3MBTL1ALDH1A1KDM4EAR
SCHEMBL30260171 0.73 ALDH1A1 (0.54) CYP1A2L3MBTL1ALDH1A1KDM4EAR
SCHEMBL5854215 0.71 PTGS2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL2711532 0.71 ALDH1A1 (0.60) CYP1A2L3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL31663334 0.70 CYP1A2 (0.45) CYP1A2ALDH1A1KDM4EADORA3ADORA1
SCHEMBL1560956 0.69 HTR1A (0.55) L3MBTL1ALDH1A1HTR1AHTR7HDAC3
SCHEMBL2711566 0.69 ALDH1A1 (0.53) CYP1A2L3MBTL1ALDH1A1KDM4E
SCHEMBL5854930 0.69 ALDH1A1 (0.53) CYP1A2ALDH1A1KDM4E
SCHEMBL3186774 0.69 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EAR
SCHEMBL18767236 0.68 KDM4E (0.56) CYP1A2L3MBTL1ALDH1A1KDM4EMAPK1

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 CYP1A2 878/4885CYP3A4 1731/4885CYP2D6 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.