SCHEMBL4380223

SCHEMBL4380223

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
AKR1B1 P15121 3/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
PTGS1 P23219 2/20 0.41
ABCC4 O15439 1/20 0.41
PIM1 P11309 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CNR2 P34972 2/20 0.37
RGS12 O14924 1/20 0.36

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
SCHEMBL4381538 0.88 CNR2 (0.38) SMN1; SMN2GAAKDM4EHPGDALDH1A1
SCHEMBL4392444 0.88 PLA2G2A (0.41) GAAKDM4EHPGDALDH1A1HTT
SCHEMBL4388905 0.85 HPGD (0.37) KDM4EHPGDALDH1A1HTTLMNA
SCHEMBL4379801 0.84 L3MBTL1 (0.43) SMN1; SMN2GAAKDM4EHPGDALDH1A1
SCHEMBL4384668 0.84 NR4A2 (0.39) SMN1; SMN2KDM4EHTTLMNACNR2
SCHEMBL4387272 0.82 ALDH1A1 (0.54) GAAKDM4EHPGDALDH1A1LMNA
SCHEMBL4381565 0.81 BACE1 (0.42) HPGDHSD17B10ALDH1A1HTTMEN1
SCHEMBL4389225 0.81 HPGD (0.43) SMN1; SMN2GAAKDM4EHPGDHSD17B10
SCHEMBL4384593 0.81 KMT2A (0.51) SMN1; SMN2GAAHPGDALDH1A1HTT
SCHEMBL4394879 0.81 HPGD (0.44) SMN1; SMN2GAAKDM4EHPGDALDH1A1

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 SMN1; SMN2 4471/4885AKR1B1 981/4885GAA 3950/4885

“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.