SCHEMBL6209714

SCHEMBL6209714

CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc3cc(O)c(Cc4ccc(C(=O)O)cc4)c(O)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 0.43
CA2 P00918 2/20 0.42
EPHX2 P34913 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.41
RORC P51449 3/20 0.41

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
SCHEMBL6845405 0.90 RORC (0.49) ALDH1A1NR1H4CA2EPHX2CA1
SCHEMBL6844731 0.89 NR1H4 (0.48) NR1H4CA2EPHX2CA1RORC
SCHEMBL6844739 0.89 CA2 (0.55) NR1H4CA2EPHX2CA12CA9
SCHEMBL6843221 0.87 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1NR1H4
SCHEMBL6843413 0.85 NR1H4 (0.52) ALDH1A1NR1H4LMNAMAPTEPHX2
SCHEMBL6842635 0.85 NR1H4 (0.59) ALDH1A1MEN1KMT2ANR1H4MAPT
SCHEMBL6211045 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANR1H4MAPT
SCHEMBL6843325 0.83 NR1H4 (0.51) MEN1KMT2ANR1H4EPHX2
SCHEMBL6843206 0.83 NR1H4 (0.51) ALDH1A1NR1H4CA2EPHX2CA1
SCHEMBL6845318 0.83 NR1H4 (0.51) NR1H4LMNAMAPTEPHX2

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 ALDH1A1 1588/4885MEN1 2172/4885KMT2A 4149/4885

“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.