SCHEMBL3322189

SCHEMBL3322189

COc1cc2cc(-c3ccc(Cl)c(Cl)c3)nc(C)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
RAC1 P63000 4/20 0.67
ALDH1A1 P00352 3/20 0.60
GAA P10253 2/20 0.60
POLB P06746 1/20 0.52
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
KMO O15229 1/20 0.42
MAPK10 P53779 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ACACA Q13085 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40

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 SCHEMBL3318714 0.99 KDM4E (0.68) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318717 0.99 KDM4E (0.68) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3320163 0.85 KDM4E (0.76) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL7822956 0.85 KDM4E (0.83) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3321733 0.84 KDM4E (0.74) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3321730 0.84 KDM4E (0.74) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3321880 0.82 KDM4E (0.80) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318463 0.81 KDM4E (0.78) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3324961 0.81 KDM4E (1.00) KDM4EMAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3318461 0.81 KDM4E (0.78) KDM4EMAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2679/4885MEN1 2013/4885

“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.