SCHEMBL4186418

SCHEMBL4186418

O=C(O)COc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PTGDR2 Q9Y5Y4 9/20 0.57
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGDR Q13258 1/20 0.50
NPC1 O15118 1/20 0.50
GBA1 P04062 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL23589263 0.88 PTGDR2 (0.54) MEN1KMT2APTGDR2POLBTSHR
SCHEMBL3800698 0.87 NPC1 (0.49) MEN1KMT2APTGDR2NPC1GBA1
SCHEMBL4180130 0.84 MAPT (0.51) MEN1KMT2APOLBNPC1GBA1
SCHEMBL21634471 0.84 NPC1 (0.46) MEN1KMT2APTGDR2NPC1GBA1
SCHEMBL10788762 0.83 MEN1 (0.66) MEN1KMT2APTGDR2TSHRTDP1
SCHEMBL6960 0.82 ALDH1A1 (0.56) MEN1KMT2APTGDR2POLBTDP1
SCHEMBL27654732 0.82 PRSS1 (0.52) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL2599653 0.82 MEN1 (0.64) MEN1KMT2APTGDR2L3MBTL1ALDH1A1
SCHEMBL1332207 0.82 KDM4E (0.64) MEN1KMT2APTGDR2TSHRTDP1
SCHEMBL10508964 0.82 MEN1 (0.64) MEN1KMT2APTGDR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
US-5141935-A Dihydrobenz thiazine derivative and microorganism control agent UBE INDUSTRIES, LTD. (JP) 1992-08-25 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 (2 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 MEN1 3474/4885KMT2A 4266/4885PTGDR2 916/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R MEN1 400/4885KMT2A 2408/4885PTGDR2 112/4885

“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.