SCHEMBL3033967

SCHEMBL3033967

Cc1cc(CNC(=O)c2ccc3cc(C(=O)NO)ccc3c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NAMPT P43490 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX2 P34913 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 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
SCHEMBL3454745 0.89 ROCK2 (0.52) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL13118303 0.80 NPC1 (0.60) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL3033919 0.80 HDAC6 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1568385 0.79 ROCK2 (0.62) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL24538352 0.76 CYP1A2 (0.52) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL14452301 0.76 ROCK2 (0.49) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL3032556 0.74 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3039261 0.74 HPGD (0.59) ROCK2HDAC1HDAC6HDAC3HDAC2
SCHEMBL2755867 0.74 EPHX2 (0.58) ROCK2NAMPTNPC1RAB9AADORA2A
SCHEMBL14480318 0.73 ROCK2 (0.48) ROCK2HDAC1HDAC6HDAC3HDAC2

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 ROCK2 4323/4885HDAC1 5/4885HDAC6 31/4885

“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.