SCHEMBL6178153

SCHEMBL6178153

COC(=O)c1ccc(Cn2ccc3ccc(Br)cc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.53
PSMB1 P20618 3/20 0.51
PSMB5 P28074 3/20 0.51
MAPK10 P53779 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.48
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9974682 0.91 MAPK8 (0.53) MAPK8MAPK10ALDH1A1LMNAHDAC8
SCHEMBL6179524 0.88 MAPK8 (0.56) MAPK8PSMB1PSMB5MAPK10HDAC8
SCHEMBL5697085 0.88 PSMB1 (0.46) MAPK8PSMB1PSMB5MAPK10ALDH1A1
SCHEMBL2117651 0.83 MMP13 (0.48) MAPK8PSMB1MAPK10ALDH1A1LMNA
SCHEMBL6168393 0.83 LMNA (0.46) MAPK10ALDH1A1LMNAHDAC8HDAC6
SCHEMBL31241117 0.81 MAPT (0.55) PSMB1PSMB5LMNAHDAC8HDAC6
SCHEMBL6701010 0.81 CA1 (0.46) MAPK8MAPK10ALDH1A1LMNAHDAC8
SCHEMBL6703541 0.81 CYP11B1 (0.49) MAPK10ALDH1A1LMNAHDAC8HDAC6
SCHEMBL6697238 0.80 PDPK1 (0.43) MAPK10ALDH1A1LMNAHDAC8HDAC6
SCHEMBL6247694 0.79 MAPK10 (0.48) MAPK10ALDH1A1LMNAHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MAPK8 2237/4885PSMB1 866/4885PSMB5 210/4885

“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.