SCHEMBL2597458

SCHEMBL2597458

CCCCOOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.59
BCL9 O00512 1/20 0.58
CTNNB1 P35222 1/20 0.58
GAA P10253 1/20 0.50
HTR2A P28223 1/20 0.48
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL18699058 0.96 MGLL (0.60) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL1144551 0.85 MGLL (0.62) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL27882785 0.84 MGLL (0.60) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL45182 0.84 HTR2A (0.52) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL7328055 0.83 BCL9 (0.49) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL1958366 0.83 MGLL (0.60) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL10357908 0.82 MGLL (0.56) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL21777065 0.82 MGLL (0.62) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL21433889 0.82 MGLL (0.62) MGLLBCL9CTNNB1GAAHTR2A
SCHEMBL21433828 0.82 MGLL (0.62) MGLLBCL9CTNNB1GAAHTR2A

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
CN-102947291-B Prodrugs of triazolone compounds EISAI R&D MAN CO LTD 2014-07-09 CN disclosed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-8436009-B2 Prodrug of triazolone compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-07 US disclosed
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
CN-102947291-A Prodrugs of triazolone compounds EISAI R&D MAN CO LTD 2013-02-27 CN disclosed
WO-2011145747-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-24 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-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND F7, TFPI, TFPI2 MGLL 3770/4885BCL9 2680/4885CTNNB1 3862/4885

“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.