SCHEMBL4479886

SCHEMBL4479886

CN(Cc1ccc2c(ccn2Cc2ccccc2)c1)C(=O)C=Cc1ccc(N)nc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
BACE1 P56817 2/20 0.43
PLAU P00749 1/20 0.42
APP P05067 3/20 0.42
SNCA P37840 1/20 0.40

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
SCHEMBL4479873 1.00 HDAC1 (0.51) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL725617 0.82 PLAU (0.42) NPC1PLAU
SCHEMBL725618 0.82 PLAU (0.42) NPC1PLAU
SCHEMBL725744 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL725741 0.79 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL726098 0.76 RAB9A (0.50) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL726099 0.76 RAB9A (0.50) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL725954 0.74
SCHEMBL725951 0.74
SCHEMBL30583173 0.74

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-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 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-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 HDAC1 87/4885HDAC8 1060/4885HDAC2 806/4885

“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.