SCHEMBL5854215

SCHEMBL5854215

COc1cc(C(=O)OC(C)(C)C)cc(NCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC1 Q13547 2/20 0.45
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL451920 0.80 PTGS2 (0.45) PTGS2PIK3CAPIK3CBHTTALDH1A1
SCHEMBL3711270 0.75 PIK3CA (0.61) PTGS2PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL28061976 0.74 HTT (0.58) PTGS2HTTALDH1A1KDM4ECYP1A2
SCHEMBL441290 0.73 PIK3CA (0.59) PTGS2PIK3CAPIK3CBALDH1A1CA1
SCHEMBL1711035 0.73 CA1 (0.73) HTTALDH1A1HDAC1CA1CA2
SCHEMBL2190706 0.73 HIF1A (0.55) ALDH1A1CA1CA2SLC7A5HPGD
SCHEMBL18809821 0.72 HDAC1 (0.57) PTGS2HTTALDH1A1KDM4EHDAC1
SCHEMBL18767236 0.72 KDM4E (0.56) ALDH1A1KDM4ECA1CA2CYP1A2
SCHEMBL2711532 0.72 ALDH1A1 (0.60) ALDH1A1KDM4ECA1CA2CYP1A2
SCHEMBL5855154 0.71 CYP1A2 (0.44) ALDH1A1KDM4EHDAC1CYP1A2CYP3A4

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 PTGS2 1111/4885PIK3CA 2833/4885PIK3CB 2305/4885

“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.