SCHEMBL3065729

SCHEMBL3065729

O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
PTGIR P43119 1/20 0.44
PTGDR Q13258 1/20 0.44
NT5E P21589 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 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
SCHEMBL6526017 0.93 MEN1 (0.50) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL3085245 0.86 MEN1 (0.61) MEN1MAPTKMT2APTGIRPTGDR
SCHEMBL7703302 0.81 MEN1 (0.82) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL6522524 0.81 L3MBTL1 (0.56) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL3077820 0.80 MEN1 (0.57) MEN1MAPTKMT2ATDP1PTGIR
SCHEMBL4013159 0.78 KMT2A (0.62) MEN1MAPTKMT2ACA12CA9
SCHEMBL23693518 0.78 L3MBTL1 (0.44) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL23693571 0.78 AHR (0.53) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL11457546 0.78 ALDH1A1 (0.51) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL29886905 0.78 PARP1 (0.47) MEN1KMT2AALDH1A1TDP1HPGD

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
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 MEN1 1785/4885MAPT 3889/4885KMT2A 2746/4885

“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.