SCHEMBL6697905

SCHEMBL6697905

COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(C#N)c4)CC3)cc2)c1OCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
GPR6 P46095 5/20 0.51
ABCB1 P08183 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PRKAA2 P54646 1/20 0.47
LRRK2 Q5S007 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL6702378 0.93 MAPT (0.54) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6705289 0.90 MAPT (0.56) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6695296 0.89 MAPT (0.62) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6695053 0.87 MAPT (0.61) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6704421 0.84 MAPT (0.54) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6704904 0.83 LRRK2 (0.57) MAPTTSHRMAPK1GPR6ABCB1
SCHEMBL6695912 0.79 MAPT (0.62) MAPTTSHRMAPK1GPR6LMNA
SCHEMBL6702452 0.77 FAAH (0.55) MAPTTSHRMAPK1GPR6LMNA
SCHEMBL6695923 0.75 MAPT (0.53) MAPTTSHRMAPK1GPR6LMNA
SCHEMBL6648002 0.75 MAPT (0.55) MAPTTSHRMAPK1GPR6LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP claimed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO claimed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP MAPT 2320/4885TSHR 983/4885MAPK1 3168/4885

“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.