SCHEMBL6304221

SCHEMBL6304221

O=C(O)c1cccn(NCCCc2cccnc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM6B O15054 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
USP2 O75604 1/20 0.45
PTAFR P25105 4/20 0.45
EPHX2 P34913 1/20 0.44
POLR1A O95602 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL6298514 0.85 USP2 (0.55) USP2
SCHEMBL6304665 0.76 TBXAS1 (0.46) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12120857 0.74 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2841099 0.71 EPHX2 (0.65) TBXAS1PTAFREPHX2CHRNA7
SCHEMBL10679959 0.71 USP2 (0.70) TBXAS1KDM6BKDM4CUSP2PTAFR
SCHEMBL2131366 0.71 TBXAS1 (0.57) TBXAS1KDM6BKDM4CUSP2CHRNA7
SCHEMBL31688462 0.69 TBXAS1 (0.68) TBXAS1PTAFREPHX2CHRNA7
Bicarbonate SCHEMBL9522433 0.69 TBXAS1 (0.81) TBXAS1PTAFRCHRNA7
SCHEMBL10674129 0.69 USP2 (0.75) TBXAS1HDAC2HDAC8HDAC6USP2
SCHEMBL16057559 0.68 TBXAS1 (0.57) TBXAS1HDAC3HDAC4HDAC1HDAC7

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-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 TBXAS1 3746/4885HDAC3 4110/4885HDAC4 3378/4885

“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.