SCHEMBL6288640

SCHEMBL6288640

CC(C)(C)OC(=O)c1ccc(Cn2cc3cc(Br)ncc3cc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.38
ALDH1A1 P00352 1/20 0.38
RHEB Q15382 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
USP2 O75604 1/20 0.36
SMO Q99835 1/20 0.35
F11 P03951 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6291887 0.85 MAPK10 (0.39) MAPK10ALDH1A1RHEBSIRT2SIRT1
SCHEMBL6248127 0.81 MAPK10 (0.39) MAPK10ALDH1A1RHEBSIRT2SIRT1
SCHEMBL6288426 0.76 TET2 (0.37) RHEBSMOF11
SCHEMBL6286878 0.73 MMP13 (0.50) SIRT2SIRT1P2RX7CRHBPCRHR2
SCHEMBL6287173 0.71 TET2 (0.35) SIRT2SIRT1F11HDAC10HDAC6
SCHEMBL6246837 0.71 MAPK10 (0.44) MAPK10ALDH1A1RHEBSMN1; SMN2HDAC10
SCHEMBL6291355 0.70 MAPK10 (0.50) MAPK10ALDH1A1USP2SMN1; SMN2LMNA
SCHEMBL22091419 0.70 SIRT2 (0.41) MAPK10ALDH1A1RHEBSIRT2SIRT1
SCHEMBL23517000 0.69 SIRT2 (0.47) MAPK10SIRT2SIRT1SMN1; SMN2HDAC10
SCHEMBL6247551 0.69 ABCG2 (0.36) MAPK10ALDH1A1RHEBSIRT2SIRT1

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
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS 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-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 MAPK10 1062/4885ALDH1A1 1043/4885RHEB 1532/4885

“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.