SCHEMBL6209722

SCHEMBL6209722

CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc3cc(O)c(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
NR1H4 Q96RI1 4/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA2 P00918 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CXCR3 P49682 1/20 0.40
NAMPT P43490 1/20 0.40
PKM P14618 2/20 0.40
NR2F2 P24468 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL6845408 0.90 NR1H4 (0.51) ALDH1A1NR1H4CA2NAMPTEPHX2
SCHEMBL6844738 0.89 NR1H4 (0.52) NR1H4CA2NAMPTEPHX2
SCHEMBL6844744 0.89 CA2 (0.53) NR1H4CA12CA9CA2EPHX2
SCHEMBL6195444 0.88 ALDH1A1 (0.56) ALDH1A1NR1H4MEN1KMT2ANPSR1
SCHEMBL6843414 0.86 NR1H4 (0.55) ALDH1A1NR1H4MEN1KMT2ALMNA
SCHEMBL6211052 0.85 RAB9A (0.48) ALDH1A1NR1H4MEN1KMT2AMAPT
SCHEMBL6842637 0.85 NR1H4 (0.61) ALDH1A1NR1H4EPHX2
SCHEMBL6842474 0.84 NPC1 (0.54) ALDH1A1NR1H4MEN1KMT2AEPHX2
SCHEMBL6843480 0.84 NR1H4 (0.55) ALDH1A1NR1H4MEN1KMT2AEPHX2
SCHEMBL6845319 0.84 NR1H4 (0.55) 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 1588/4885NR1H4 1615/4885MEN1 2172/4885

“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.