SCHEMBL4988583

SCHEMBL4988583

CCOC(=O)C(NC(=O)c1ccc(C)cn1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
CNR1 P21554 2/20 0.41
HPGD P15428 1/20 0.40
CHRM2 P08172 1/20 0.40
GRM5 P41594 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CTSA P10619 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HCRTR1 O43613 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4985530 0.87 MAOB (0.48) KDM4EMAPTRAB9ANPC1TP53
SCHEMBL4991276 0.86 NPC1 (0.42) CHRM2GRM5SIGMAR1CTSAMAPT
SCHEMBL4988893 0.86 LMNA (0.40) CHRM2GRM5SIGMAR1CTSARAB9A
SCHEMBL4985283 0.85 MAPT (0.49) KDM4EMAPT
SCHEMBL16478648 0.81 CNR1 (0.57) KDM4EXIAPBIRC2EGLN1CNR1
SCHEMBL4990228 0.81 MAPT (0.48) KDM4EHPGDMAPTRAB9ANPC1
SCHEMBL4990568 0.79 SMN1; SMN2 (0.55) KDM4EMAPTRAB9ANPC1TP53
SCHEMBL4988590 0.79 XIAP (0.40) KDM4EXIAPBIRC2EGLN1CNR1
SCHEMBL4985581 0.78 NAMPT (0.43) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4988199 0.77 KMT2A (0.46) KDM4EHPGDMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R KDM4E 3802/4885XIAP 4636/4885BIRC2 4381/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 KDM4E 2853/4885XIAP 2245/4885BIRC2 2596/4885

“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.