SCHEMBL2597423

SCHEMBL2597423

CCC(C)(C)COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
HTR2A P28223 1/20 0.53
GAA P10253 1/20 0.49
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL2597473 0.87 HTR2A (0.56) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL18757913 0.85 BCL9 (0.52) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL18757845 0.84 HTR2A (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL21097318 0.84 HTR2A (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL5489962 0.84 HTR2A (0.56) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL25565815 0.82 HTR2A (0.47) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL278663 0.82 BCL9 (0.62) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL6819876 0.81 HTR2A (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL3559196 0.81 HTR2A (0.53) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL22960163 0.81 MGLL (0.52) BCL9CTNNB1HTR2AGAAMGLL

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 9 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
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
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 BCL9 2680/4885CTNNB1 3862/4885HTR2A 3114/4885

“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.