SCHEMBL4380801

SCHEMBL4380801

COCCN(C)C(=O)Cc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.36
LTB4R Q15722 6/20 0.35
LTB4R2 Q9NPC1 6/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.34
ATR Q13535 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
NAMPT P43490 1/20 0.33
BUB1 O43683 1/20 0.33
KCNK3 O14649 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 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
SCHEMBL4388531 0.87 NPSR1 (0.41) CNR2LTB4RLTB4R2LMNAMAPT
SCHEMBL4384668 0.83 NR4A2 (0.39) KDM4ECNR2LMNAMAPTOPRM1
SCHEMBL4393895 0.82 LMNA (0.48) LMNA
SCHEMBL4382475 0.81 EGFR (0.37) LTB4RLTB4R2LMNAMAPTDGAT1
SCHEMBL4396687 0.80 PTGFR (0.46) KDM4ELMNAMAPT
SCHEMBL4386604 0.79 HPGD (0.49) KDM4ELMNA
SCHEMBL4379801 0.78 L3MBTL1 (0.43) KDM4ECNR2
SCHEMBL4381978 0.78 PDE4B (0.40) CNR2
SCHEMBL4381538 0.76 CNR2 (0.38) KDM4ECNR2LMNAMAPT
SCHEMBL4380223 0.76 SMN1; SMN2 (0.42) KDM4ECNR2LMNAMAPT

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P KDM4E 3223/4885CNR2 1898/4885LTB4R 3831/4885

“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.