SCHEMBL6204892

SCHEMBL6204892

O=[N+]([O-])c1ccc(Oc2ccc(I)cc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.73
MAPT P10636 7/20 0.66
NPSR1 Q6W5P4 1/20 0.66
GAA P10253 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
RAB9A P51151 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPARG P37231 1/20 0.45
PABPC1 P11940 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL20932230 0.90 HSPB1 (0.82) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11198841 0.86 HSPB1 (0.75) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL10466511 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL11274403 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL9449124 0.84 HSPB1 (1.00) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL10468493 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL6331907 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL4716681 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL177664 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL29351868 0.84 HSPB1 (0.73) HSPB1MAPTNPSR1GAAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501834-B1 TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-09-07 EP disclosed
US-6916807-B2 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-07-12 US disclosed
EP-1501834-A1 TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 EP disclosed
US-20030225056-A1 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-12-04 US disclosed
WO-2003091259-A1 TRIARYL-OXY-ARYL-SPIRO-PYRIMIDINE-2, 4, 6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 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-20030225056-A1 Triaryl-oxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, TIMP3, MMP8 HSPB1 2245/4885MAPT 4536/4885NPSR1 2456/4885

“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.