SCHEMBL4385905

SCHEMBL4385905

CN(C)C(=O)c1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
PDK1 Q15118 2/20 0.36
HTT P42858 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ERN1 O75460 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
PRNP P04156 1/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4387282 0.82 PRNP (0.42) HTTCNR2CNR1PRNPPPARG
SCHEMBL4389613 0.80 CNR2 (0.48) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4392519 0.80 RAB9A (0.39) ALDH1A1KDM4EHSD17B10RAB9AMEN1
SCHEMBL4390351 0.79 GSK3B (0.40) ALDH1A1KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL4381542 0.79 SMN1; SMN2 (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL4389590 0.79 LMNA (0.50) ALDH1A1KDM4EHSD17B10SMN1; SMN2RAB9A
SCHEMBL4384668 0.75 NR4A2 (0.39) KDM4ESMN1; SMN2RAB9AHTTCNR2
SCHEMBL28221491 0.73 PDE4B (0.46) MEN1KMT2AHTTCNR2CNR1
SCHEMBL4380841 0.71 EGFR (0.49) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL4384039 0.71 PDE4B (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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 ALDH1A1 3520/4885KDM4E 3223/4885HSD17B10 405/4885

“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.