SCHEMBL4396687

SCHEMBL4396687

CN(CCc1ccccn1)C(=O)Cc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HIF1A Q16665 1/20 0.46
HSD11B1 P28845 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AVPR1B P47901 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4388531 0.82 NPSR1 (0.41) TDP1ALDH1A1MAPTLMNAMEN1
SCHEMBL4380801 0.80 KDM4E (0.38) KDM4EMAPTLMNA
SCHEMBL4383064 0.78 POLB (0.56) TDP1RAB9ANPC1POLBALDH1A1
SCHEMBL12846060 0.71 HIF1A (0.64) KDM4ETDP1HIF1AHSD11B1RAB9A
SCHEMBL4382263 0.70 MAPT (0.47) KDM4EALDH1A1MAPTLMNA
SCHEMBL16105732 0.70 KMT2A (0.59) PTGFRKDM4ETDP1HIF1AHSD11B1
SCHEMBL2755865 0.70 KDM4E (0.62) KDM4ETDP1HIF1AHSD11B1RAB9A
SCHEMBL4388905 0.70 HPGD (0.37) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL4392444 0.70 PLA2G2A (0.41) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL6702300 0.70 HIF1A (0.62) KDM4ETDP1HIF1AHSD11B1RAB9A

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 PTGFR 3368/4885KDM4E 3223/4885TDP1 2978/4885

“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.