SCHEMBL819386

SCHEMBL819386

CC(=O)OC1CCNC1Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAOA P21397 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FOLH1 Q04609 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 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
SCHEMBL820310 1.00 KDM4E (0.34) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL818239 0.77 HTR6 (0.49) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL823067 0.77 HTR6 (0.49) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12405713 0.76 XIAP (0.40) MEN1KMT2AEGFRMAPKAPK2
SCHEMBL820554 0.73 MCL1 (0.35) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL820539 0.72 HTR2A (0.35) ALDH1A1MEN1KMT2AEGFRMAPKAPK2
SCHEMBL818116 0.72 HTR2A (0.35) ALDH1A1MEN1KMT2AEGFRMAPKAPK2
SCHEMBL820311 0.70 DPP8 (0.37) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL818270 0.70 DPP8 (0.37) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL1864140 0.69 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
EP-2242362-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-10-27 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 KDM4E 3168/4885ALDH1A1 4283/4885MAPT 1439/4885

“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.