SCHEMBL6714100

SCHEMBL6714100

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CCCN4)c3[nH]2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
HDAC1 Q13547 5/20 0.34
HDAC3 O15379 4/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
KISS1R Q969F8 1/20 0.34
PFKFB2 O60825 3/20 0.33
PFKFB1 P16118 3/20 0.33
PFKFB3 Q16875 3/20 0.33
ROCK2 O75116 2/20 0.33
SCN3A Q9NY46 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL6714113 1.00 JAK2 (0.35) JAK2TBK1HDAC1HDAC3HDAC2
SCHEMBL6714108 1.00 JAK2 (0.35) JAK2TBK1HDAC1HDAC3HDAC2
SCHEMBL6709906 0.90 GSK3B (0.37) PLA2G7
SCHEMBL6713424 0.90 GSK3B (0.40) PLA2G7
SCHEMBL6707972 0.89 GRIK1 (0.39) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6709003 0.89 GRIK1 (0.37) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6707967 0.89 GRIK1 (0.39) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6707970 0.89 GRIK1 (0.39) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6709006 0.89 GRIK1 (0.37) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6709010 0.89 GRIK1 (0.37) HDAC1HDAC3HDAC2HDAC4HDAC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 JAK2 1940/4885TBK1 154/4885HDAC1 1910/4885

“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.