SCHEMBL4384152

SCHEMBL4384152

O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4384011 0.90 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL4379702 0.85 EGFR (0.44) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL4386243 0.85 MAPK1 (0.44) KMT2ALMNAKDM4ESMN1; SMN2TSHR
SCHEMBL4386601 0.83 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL4386467 0.82 MAPT (0.55) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL4386854 0.82 TACR3 (0.52) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4386999 0.81 SIGMAR1 (0.64)
SCHEMBL4394430 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL6025387 0.77 RAB9A (0.55) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL4380891 0.77 POLB (0.53) ALDH1A1MEN1KMT2ALMNAHTT

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 3520/4885MEN1 4784/4885KMT2A 3994/4885

“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.