SCHEMBL4392444

SCHEMBL4392444

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.41
HTT P42858 1/20 0.36
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ACLY P53396 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
SCHEMBL4380223 0.88 SMN1; SMN2 (0.42) HTTCNR2HPGDNFKB1KDM4E
SCHEMBL4381538 0.85 CNR2 (0.38) HTTCNR2HPGDKDM4EALDH1A1
SCHEMBL4388905 0.82 HPGD (0.37) HTTCNR2HPGDKDM4EALDH1A1
SCHEMBL4379801 0.81 L3MBTL1 (0.43) CNR2NPC1HPGDNFKB1RAB9A
SCHEMBL4384668 0.81 NR4A2 (0.39) HTTCNR2RAB9AKDM4EMAPT
SCHEMBL4392012 0.79 MAPT (0.44) HTTCNR2KDM4EALDH1A1MAPT
SCHEMBL4387272 0.79 ALDH1A1 (0.54) HPGDRAB9AKDM4EALDH1A1GAA
SCHEMBL4381565 0.79 BACE1 (0.42) HTTCNR2HPGDALDH1A1
SCHEMBL4384593 0.78 KMT2A (0.51) HTTNPC1HPGDRAB9AALDH1A1
SCHEMBL4389225 0.78 HPGD (0.43) HPGDKDM4EALDH1A1GAAMAPT

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 PLA2G2A 4861/4885HTT 538/4885CNR2 1898/4885

“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.