SCHEMBL3029995

SCHEMBL3029995

O=C(NO)c1ccc2cc(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.56
HDAC6 Q9UBN7 6/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC2 Q92769 3/20 0.56
MLYCD O95822 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
HDAC10 Q969S8 1/20 0.56
NAMPT P43490 1/20 0.56
KDM1A O60341 2/20 0.51
EGLN1 Q9GZT9 1/20 0.50
MAPK14 Q16539 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP1A2 P05177 2/20 0.44

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
SCHEMBL3035835 0.88 HDAC6 (0.66) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3035143 0.86 AURKA (0.61) HDAC8HDAC6HDAC1HDAC2MLYCD
SCHEMBL3033902 0.84 MLYCD (0.69) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2946761 0.82 MLYCD (0.65) MLYCDNAMPTEGLN1MAPK14KDM4E
SCHEMBL3036345 0.81 MLYCD (0.67) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3030027 0.80 HDAC6 (0.74) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3038051 0.80 HDAC6 (0.65) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL27931803 0.79 L3MBTL1 (0.62) HDAC1MLYCDNAMPTKDM1AEGLN1
SCHEMBL3036033 0.79 HDAC3 (0.59) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL3024525 0.77 HDAC6 (0.72) HDAC8HDAC6HDAC1HDAC3HDAC2

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 HDAC8 7/4885HDAC6 31/4885HDAC1 5/4885

“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.