SCHEMBL4382807

SCHEMBL4382807

N#Cc1cccnc1N1CCN(C(=O)Cc2c(Br)c(O)cc(O)c2-c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC2 Q92769 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.43
PANK3 Q9H999 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.42
PARP1 P09874 7/20 0.41
PARP2 Q9UGN5 7/20 0.41
PARP3 Q9Y6F1 7/20 0.41
TNKS O95271 1/20 0.41
PARP6 Q2NL67 1/20 0.41

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
SCHEMBL4394430 0.87 ALDH1A1 (0.46) ALDH1A1TDP1DRD2KMT2ADRD4
SCHEMBL4386243 0.76 MAPK1 (0.44) KDM4ETDP1KMT2A
SCHEMBL4379702 0.76 EGFR (0.44) KDM4EALDH1A1MEN1KMT2AHSD11B1
SCHEMBL4384593 0.76 KMT2A (0.51) ALDH1A1MEN1KMT2A
SCHEMBL3334496 0.76 KDM4E (0.69) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL3329378 0.75 KDM4E (0.63) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL4386467 0.74 MAPT (0.55) KDM4EALDH1A1MEN1KMT2A
SCHEMBL8167178 0.73 KDM4E (0.69) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL8235906 0.73 KDM4E (0.69) KDM4EALDH1A1TDP1HDAC2CA12
SCHEMBL3334438 0.73 KDM4E (0.69) KDM4EALDH1A1TDP1HDAC2CA12

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 KDM4E 3223/4885ALDH1A1 3520/4885TDP1 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.