SCHEMBL2597415

SCHEMBL2597415

COc1cc(O)c(F)c(C(C#N)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
GAA P10253 3/20 0.46
SGMS2 Q8NHU3 5/20 0.42
LMNA P02545 4/20 0.42
MMP2 P08253 1/20 0.36
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GSK3B P49841 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL1621026 0.87 ALDH1A1 (0.47) ALDH1A1GAASGMS2LMNAMMP2
SCHEMBL12185986 0.82 ALDH1A1 (0.43) ALDH1A1GAASGMS2LMNAMMP2
SCHEMBL2701254 0.80 ALDH1A1 (0.41) ALDH1A1GAASGMS2LMNAFPR1
SCHEMBL2868724 0.73 ALDH1A1 (0.37) ALDH1A1GAASGMS2LMNAMEN1
SCHEMBL5883488 0.71 MEN1 (0.42) ALDH1A1GAALMNAMMP2FPR1
SCHEMBL6876129 0.71 F10 (0.39) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL1618513 0.70 MEN1 (0.37) ALDH1A1GAAMMP2FPR1FPR2
SCHEMBL16055010 0.70 MAPT (0.47) ALDH1A1GAASGMS2LMNAMEN1
SCHEMBL1619764 0.70 MEN1 (0.39) ALDH1A1GAALMNAMMP2FPR1
SCHEMBL2597368 0.68 KCNH2 (0.35) ALDH1A1GAASGMS2LMNAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP 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
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
WO-2011145747-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-24 WO 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 ALDH1A1 1398/4885GAA 2023/4885SGMS2 4184/4885

“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.