SCHEMBL3318529

SCHEMBL3318529

COc1cc2cc(-c3ccc4c(c3)OCO4)nc(C)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
MAPT P10636 4/20 0.64
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RAC1 P63000 4/20 0.61
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
IDO1 P14902 1/20 0.55
TDO2 P48775 1/20 0.55
ALOX5 P09917 1/20 0.53
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
Hydrochloric Acid SCHEMBL3316173 0.99 KDM4E (0.62) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL7822004 0.87 KDM4E (0.60) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL7822956 0.81 KDM4E (0.83) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL3321880 0.78 KDM4E (0.80) KDM4EMAPTNPC1RAB9AMEN1
Graveolinine SCHEMBL25286396 0.77 KDM4E (0.66) KDM4EMAPTNPC1RAB9AMEN1
Graveolinine SCHEMBL29411843 0.77 KDM4E (0.66) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL3324961 0.76 KDM4E (1.00) KDM4EMAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL3318461 0.76 KDM4E (0.78) KDM4EMAPTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL3318463 0.76 KDM4E (0.78) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL3320461 0.76 RAC1 (1.00) KDM4EMAPTNPC1RAB9AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 EP claimed
EP-2185521-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES Exonhit Therapeutics SA (FR) 2010-05-19 EP disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO disclosed
EP-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 EP disclosed
EP-0888346-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-01-07 EP disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 WO 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-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 KDM4E 3958/4885MAPT 2679/4885NPC1 2589/4885

“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.