SCHEMBL6496356

SCHEMBL6496356

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.39
SCN9A Q15858 1/20 0.38
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
VCP P55072 1/20 0.36
MLYCD O95822 2/20 0.36

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
SCHEMBL381766 0.90 DRD2 (0.42) HDAC1DRD2DRD3JAK2BRD4
SCHEMBL6503950 0.87 DRD2 (0.40) HDAC1DRD2DRD3JAK2BRD4
SCHEMBL383373 0.85 ITGB3 (0.40) HDAC1
SCHEMBL381828 0.84 DRD2 (0.43) DRD2DRD3
SCHEMBL6499251 0.82 SFRP1 (0.42) HDAC1DRD2DRD3JAK2BRD4
SCHEMBL6499250 0.81 VCP (0.40) HDAC1DRD2DRD3SCN9AVCP
SCHEMBL7464438 0.80 DRD2 (0.42) HDAC1DRD2DRD3SCN9APLOD2
SCHEMBL383200 0.79 DRD2 (0.34) HDAC1DRD2DRD3
SCHEMBL6497223 0.79 DRD2 (0.41) DRD2DRD3
SCHEMBL6501602 0.78 KDM4E (0.56) DRD2DRD3PLOD2PLOD3PLOD1

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 HDAC1 739/4885DRD2 796/4885DRD3 514/4885

“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.