SCHEMBL6304665

SCHEMBL6304665

CN(CCCc1cccnc1)n1cccc(C(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.46
CHRNA7 P36544 2/20 0.44
DHODH Q02127 2/20 0.42
USP2 O75604 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6304221 0.76 TBXAS1 (0.47) TBXAS1CHRNA7USP2HDAC3HDAC4
SCHEMBL12120857 0.73 HDAC3 (0.57) USP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12277755 0.71 CHRNA7 (0.57) TBXAS1CHRNA7TDP1L3MBTL1
SCHEMBL6298514 0.70 USP2 (0.55) USP2KDM4EALDH1A1HPGDTSHR
SCHEMBL2131366 0.70 TBXAS1 (0.57) TBXAS1CHRNA7USP2TDP1L3MBTL1
SCHEMBL11846860 0.70 CHRNA7 (0.79) TBXAS1CHRNA7TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9554198 0.69 TBXAS1 (0.68) TBXAS1CHRNA7TDP1L3MBTL1
SCHEMBL11239542 0.69 TBXAS1 (0.52) TBXAS1CHRNA7USP2TDP1L3MBTL1
Bicarbonate SCHEMBL9522433 0.68 TBXAS1 (0.81) TBXAS1CHRNA7TDP1L3MBTL1KDM4E
SCHEMBL12277694 0.68 CHRNA7 (0.53) TBXAS1CHRNA7TDP1L3MBTL1

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 3746/4885CHRNA7 4795/4885DHODH 2951/4885

“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.