SCHEMBL4384011

SCHEMBL4384011

O=C(Cc1c(Br)c(O)cc(O)c1-c1ccccc1)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 7/20 0.62
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TACR3 P29371 1/20 0.44
TRPV6 Q9H1D0 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4384152 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL4379702 0.78 EGFR (0.44) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL4386243 0.78 MAPK1 (0.44) KDM4ELMNAKMT2ATDP1
SCHEMBL4384593 0.78 KMT2A (0.51) ALDH1A1HTTLMNAHPGDMEN1
SCHEMBL4392819 0.78 LMNA (0.61) ALDH1A1HTTLMNAHPGDKMT2A
SCHEMBL4386601 0.76 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKMT2ATDP1
SCHEMBL4386467 0.76 MAPT (0.55) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL4386854 0.76 TACR3 (0.52) ALDH1A1KDM4EMEN1KMT2ATACR3
SCHEMBL27781452 0.73 KDM4E (0.69) ALDH1A1KDM4EHTTLMNATDP1
SCHEMBL4382807 0.73 KDM4E (0.55) ALDH1A1KDM4EMEN1KMT2ATDP1

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 3223/4885HTT 538/4885

“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.