SCHEMBL4386103

SCHEMBL4386103

CNCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRMT6 Q96LA8 2/20 0.33
BACE1 P56817 1/20 0.33
CNR2 P34972 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL4386929 0.85 TAAR1 (0.40) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4388905 0.81 HPGD (0.37) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL4381565 0.80 BACE1 (0.42) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4387558 0.79 ADRB2 (0.40) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4387422 0.78 ALDH1A1 (0.41) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4386433 0.78 BACE1 (0.39) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4381538 0.77 CNR2 (0.38) PDE4BPDE4APDE4CPDE4DMAPT
Dimethylamine SCHEMBL4387430 0.77 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL4379801 0.77 L3MBTL1 (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4380223 0.76 SMN1; SMN2 (0.42) MAPTKDM4EMEN1KMT2AHTT

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 PDE4B 4266/4885PDE4A 4374/4885PDE4C 4564/4885

“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.