SCHEMBL4394879

SCHEMBL4394879

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL4390425 0.89 MTNR1A (0.41) HPGDLMNAKMT2ATP53MEN1
SCHEMBL4386604 0.86 HPGD (0.49) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4382263 0.86 MAPT (0.47) KDM4EALDH1A1LMNACA1CA2
SCHEMBL4389225 0.85 HPGD (0.43) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL4388905 0.84 HPGD (0.37) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4387272 0.83 ALDH1A1 (0.54) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4381538 0.81 CNR2 (0.38) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4396312 0.81 ALDH1A1 (0.46) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4380223 0.81 SMN1; SMN2 (0.42) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL4379801 0.80 L3MBTL1 (0.43) HPGDKDM4EALDH1A1SMN1; SMN2CNR2

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 3238/4885KDM4E 3223/4885ALDH1A1 3520/4885

“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.