SCHEMBL6212955

SCHEMBL6212955

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)NCc4ccc5c(c4)CCS5)ccc3cc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.44
MAPT P10636 6/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 2/20 0.36
GFER P55789 1/20 0.36
THRB P10828 2/20 0.36
MMP13 P45452 1/20 0.36
MAPK14 Q16539 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL6193966 0.88 NR1H4 (0.48) NR1H4MAPTRXFP1SMN1; SMN2EPHX2
SCHEMBL6843122 0.84 RXRB (0.35) MAPT
SCHEMBL6195891 0.84 NR1H4 (0.47) NR1H4MAPTRXFP1SMN1; SMN2EPHX2
SCHEMBL6217032 0.83 RAB9A (0.54) NR1H4MAPTMMP13
SCHEMBL6842637 0.81 NR1H4 (0.61) NR1H4EPHX2MMP13HDAC3HDAC4
SCHEMBL6843414 0.81 NR1H4 (0.55) NR1H4MAPTEPHX2MMP13MAPK14
SCHEMBL6843207 0.81 NR1H4 (0.55) NR1H4EPHX2MMP13HDAC3HDAC4
SCHEMBL6195255 0.81 NR1H4 (0.52) NR1H4MAPTRXFP1SMN1; SMN2EPHX2
SCHEMBL6845319 0.81 NR1H4 (0.55) NR1H4MAPTEPHX2MMP13HDAC3
SCHEMBL6843480 0.81 NR1H4 (0.55) NR1H4SMN1; SMN2EPHX2MMP13HDAC3

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 NR1H4 1615/4885MAPT 1745/4885RXFP1 314/4885

“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.