SCHEMBL4414982

SCHEMBL4414982

O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4O[C@H]43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.52
CTSB P07858 3/20 0.49
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 1/20 0.36
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13480940 1.00 AR (0.52) ARCTSBALDH1A1TDP1GAA
SCHEMBL4414971 1.00 AR (0.52) ARCTSBALDH1A1TDP1GAA
SCHEMBL13870693 1.00 AR (0.52) ARCTSBALDH1A1TDP1GAA
SCHEMBL7172600 1.00 AR (0.52) ARCTSBALDH1A1TDP1GAA
SCHEMBL5736189 0.84 AR (0.56) ARCTSBALDH1A1TDP1GAA
SCHEMBL13480901 0.84 AR (0.56) ARCTSBALDH1A1TDP1GAA
SCHEMBL3181519 0.84 AR (0.56) ARCTSBALDH1A1TDP1GAA
SCHEMBL3181530 0.84 AR (0.56) ARCTSBALDH1A1TDP1GAA
SCHEMBL3187283 0.84 AR (0.56) ARCTSBALDH1A1TDP1GAA
SCHEMBL13989370 0.83 AR (0.48) ARCTSBALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP claimed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US claimed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 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-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 AR 33/4885CTSB 4015/4885ALDH1A1 3219/4885

“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.