SCHEMBL4388252

SCHEMBL4388252

COCCNCCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.42
KDM4E B2RXH2 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4387558 0.89 ADRB2 (0.40) ADRB2KDM4EL3MBTL1DRD2DRD4
SCHEMBL4381978 0.87 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4387184 0.84 CNR2 (0.39) KDM4EL3MBTL1PDE4BPDE4APDE4C
SCHEMBL4386929 0.81 TAAR1 (0.40) KDM4EL3MBTL1PDE4BPDE4APDE4C
SCHEMBL4386604 0.81 HPGD (0.49) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4380187 0.80 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4382852 0.78 F2RL3 (0.38) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL4388379 0.77 F2RL3 (0.37) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL4383736 0.77 PTPN1 (0.43) KDM4EL3MBTL1PDE4BPDE4APDE4C
SCHEMBL4386433 0.75 BACE1 (0.39) PDE4BPDE4APDE4CPDE4DMEN1

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 ADRB2 1320/4885KDM4E 3223/4885L3MBTL1 3218/4885

“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.