SCHEMBL6196531

SCHEMBL6196531

O=C(O)c1ccc(Cc2cc3cc(C(=O)NCc4ccc(Br)cc4)ccc3cc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.59
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EPHX2 P34913 5/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP13 P45452 1/20 0.44
HSP90AA1 P07900 1/20 0.44
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42

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
SCHEMBL6194501 0.91 NR1H4 (0.69) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6843327 0.90 NR1H4 (0.60) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6194580 0.89 NR1H4 (0.59) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6195375 0.89 NR1H4 (0.59) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6193950 0.88 NR1H4 (0.58) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6193483 0.87 NR1H4 (0.57) NR1H4HDAC1EPHX2MMP13ALDH1A1
SCHEMBL6194608 0.86 CA2 (0.57) NR1H4EPHX2CA1CA2
SCHEMBL6193495 0.86 NR1H4 (0.56) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6195011 0.86 NR1H4 (0.56) NR1H4HDAC1HDAC3HDAC2HDAC6
SCHEMBL6195040 0.85 NR1H4 (0.55) NR1H4HDAC1HDAC3HDAC2HDAC6

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 1615/4885HDAC1 665/4885HDAC3 710/4885

“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.