SCHEMBL3028796

SCHEMBL3028796

O=C(NO)c1ccc2ccc(C(=O)NCC3CN(Cc4ccccc4)CCO3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
EPHX2 P34913 1/20 0.57
HDAC4 P56524 5/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC3 O15379 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
DRD4 P21917 7/20 0.50
KCNH2 Q12809 1/20 0.49
CCR3 P51677 1/20 0.49
SLC6A12 P48065 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL8364463 0.93 BCHE (0.67) BCHEEPHX2DRD4CCR3SLC6A12
SCHEMBL3026490 0.89 HDAC4 (0.60) EPHX2HDAC4HDAC1HDAC3HDAC7
SCHEMBL5364553 0.83 DRD4 (0.65) BCHEEPHX2HDAC4HDAC1HDAC3
SCHEMBL13538758 0.83 DRD4 (0.57) EPHX2HDAC4HDAC1HDAC3HDAC7
SCHEMBL7368209 0.82 SLC6A12 (0.60) EPHX2DRD4SLC6A12SLC6A13NPC1
SCHEMBL2424663 0.80 RAB9A (0.65) BCHEEPHX2HDAC4HDAC1HDAC3
SCHEMBL2769124 0.80 DRD4 (0.61) EPHX2DRD4CCR3DRD2DRD3
SCHEMBL2770194 0.80 DRD4 (0.61) EPHX2DRD4CCR3DRD2DRD3
SCHEMBL5429645 0.80 DRD4 (0.61) EPHX2DRD4CCR3DRD2DRD3
SCHEMBL2462808 0.79 EPHX2 (0.60) BCHEEPHX2HDAC4HDAC1HDAC3

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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 BCHE 731/4885EPHX2 734/4885HDAC4 14/4885

“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.