SCHEMBL6208447

SCHEMBL6208447

O=[N+]([O-])c1ccc(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.65
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR3C1 P04150 12/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PGR P06401 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
SCHEMBL6208610 0.87 L3MBTL1 (0.49) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6208856 0.83 CYP11B2 (0.49) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL4572853 0.83 NR3C1 (0.56) ALDH1A1LMNANR3C1PGR
SCHEMBL6210172 0.82 KDM4E (0.59) NR3C1MEN1KMT2APGR
SCHEMBL9449124 0.80 HSPB1 (1.00) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6211088 0.80 HSPB1 (0.55) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL22530050 0.76 HSPB1 (0.91) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL29392306 0.76 HSPB1 (0.91) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6209201 0.73 SMO (0.49) NR3C1PGR
SCHEMBL22530033 0.73 HSPB1 (0.70) HSPB1MAPTNPSR1ALDH1A1LMNA

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-1501833-B1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 EP disclosed
US-6900201-B2 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-05-31 US disclosed
US-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2004-01-15 US 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-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, MMP8, MMP2 HSPB1 1770/4885MAPT 4657/4885NPSR1 1902/4885

“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.