SCHEMBL3321024

SCHEMBL3321024

COc1cc2cc(-c3cccc(NC(C)=O)c3)nc(C)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
BRAF P15056 8/20 0.54
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
FYN P06241 2/20 0.53
TP53 P04637 1/20 0.51
STAT1 P42224 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
KIT P10721 1/20 0.49

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 SCHEMBL3321900 0.99 RAC1 (0.57) RAC1KDM4EMAPTBRAFNPC1
SCHEMBL3325275 0.85 RAC1 (0.61) RAC1KDM4EMAPTNPC1MEN1
Hydrochloric Acid SCHEMBL3321887 0.84 RAC1 (0.62) RAC1KDM4EMAPTNPC1MEN1
SCHEMBL3324226 0.81 RAC1 (0.56) RAC1KDM4EMAPTNPC1MEN1
Hydrochloric Acid SCHEMBL3320289 0.81 RAC1 (0.57) RAC1KDM4EMAPTNPC1MEN1
SCHEMBL196289 0.79 RAC1 (0.69) RAC1KDM4EMAPTBRAFNPC1
SCHEMBL13076486 0.79 RAC1 (0.68) RAC1KDM4EMAPTNPC1MEN1
SCHEMBL3321891 0.78 MEN1 (0.54) RAC1KDM4EMAPTNPC1MEN1
SCHEMBL147920 0.77 RAC1 (0.71) RAC1KDM4EMAPTNPC1MEN1
SCHEMBL3320127 0.77 KDM4E (0.75) RAC1KDM4EMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAC1 1/4885KDM4E 3958/4885MAPT 2679/4885

“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.