SCHEMBL6192574

SCHEMBL6192574

CN(C)c1ccc(CNC(=O)c2ccc3ccc(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.51
NR1H4 Q96RI1 6/20 0.50
CA2 P00918 1/20 0.47
POLB P06746 1/20 0.46
EPHX2 P34913 4/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL6842501 0.88 NR1H4 (0.54) KDM4EALDH1A1HTTMAPTNR1H4
SCHEMBL6843234 0.88 NR1H4 (0.62) KDM4EALDH1A1MAPTNR1H4POLB
SCHEMBL6843221 0.86 ALDH1A1 (0.55) ALDH1A1MAPTNR1H4CA2EPHX2
SCHEMBL6842510 0.86 EPHX2 (0.54) ALDH1A1NR1H4POLBEPHX2PPARG
SCHEMBL6843449 0.86 NR1H4 (0.53) ALDH1A1NR1H4CA2EPHX2HDAC1
SCHEMBL6843355 0.86 NR1H4 (0.53) NR1H4EPHX2HDAC1HDAC6HDAC3
SCHEMBL6193266 0.86 NR1H4 (0.53) MAPTNR1H4EPHX2PPARGMMP13
SCHEMBL6838118 0.85 MMP13 (0.55) ALDH1A1NR1H4EPHX2HDAC1MMP13
SCHEMBL6843392 0.85 NR1H4 (0.52) HTTNR1H4EPHX2MMP13
SCHEMBL6842454 0.84 RORC (0.51) ALDH1A1NR1H4CA2EPHX2PPARG

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-1539163-A1 4-HYDROXYQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed
WO-2004014377-A1 4-HYDROXYQUINOLINE 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 KDM4E 1987/4885ALDH1A1 1588/4885HTT 2207/4885

“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.