SCHEMBL6503950

SCHEMBL6503950

CC(=O)NC(CC(=O)O)(NC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
DRD3 P35462 8/20 0.40
HDAC1 Q13547 1/20 0.38
SCN9A Q15858 1/20 0.38
PLOD2 O00469 2/20 0.37
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 2/20 0.37
JAK2 O60674 1/20 0.36
BRD4 O60885 1/20 0.36
VCP P55072 1/20 0.36
EPHX2 P34913 1/20 0.35
NPY5R Q15761 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 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
SCHEMBL6499250 0.87 VCP (0.40) DRD2DRD3HDAC1SCN9AVCP
SCHEMBL6499251 0.87 SFRP1 (0.42) DRD2DRD3HDAC1SCN9AJAK2
SCHEMBL6496356 0.87 HDAC1 (0.41) DRD2DRD3HDAC1SCN9APLOD2
SCHEMBL6497223 0.83 DRD2 (0.41) DRD2DRD3
SCHEMBL6500015 0.79 DRD2 (0.40) DRD2DRD3HDAC1SCN9APLOD2
SCHEMBL6501602 0.78 KDM4E (0.56) DRD2DRD3PLOD2PLOD3PLOD1
SCHEMBL381719 0.77 SYK (0.40) DRD2DRD3KDR
SCHEMBL6800344 0.77 DRD2 (0.43) DRD2DRD3HDAC1CNR1CNR2
SCHEMBL383159 0.77 ITGB3 (0.44) DRD2DRD3HDAC1JAK2BRD4
SCHEMBL6500444 0.77 KAT6A (0.39) DRD2DRD3JAK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 DRD2 796/4885DRD3 514/4885HDAC1 739/4885

“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.