SCHEMBL4389225

SCHEMBL4389225

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE4B Q07343 2/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ASAH1 Q13510 1/20 0.38

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
SCHEMBL4394879 0.85 HPGD (0.44) HPGDGAAKDM4ENPSR1ALDH1A1
SCHEMBL4388905 0.84 HPGD (0.37) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL4390425 0.84 MTNR1A (0.41) HPGDNPSR1KMT2AMEN1
SCHEMBL4387272 0.83 ALDH1A1 (0.54) HPGDGAAKDM4EALDH1A1MAPT
SCHEMBL4382263 0.81 MAPT (0.47) KDM4EALDH1A1MAPT
SCHEMBL4386604 0.81 HPGD (0.49) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL4381538 0.81 CNR2 (0.38) HPGDGAAKDM4EALDH1A1MAPT
SCHEMBL4380223 0.81 SMN1; SMN2 (0.42) HPGDGAAKDM4EALDH1A1MAPT
SCHEMBL4379801 0.80 L3MBTL1 (0.43) HPGDGAAKDM4EALDH1A1PDE4B
SCHEMBL4387534 0.78 ALDH1A1 (0.56) GAAALDH1A1MAPT

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 HPGD 3238/4885GAA 3950/4885KDM4E 3223/4885

“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.