SCHEMBL3321891

SCHEMBL3321891

COc1cc2cc(-c3ccccc3NC(C)=O)nc(C)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
RAC1 P63000 4/20 0.51
ADORA3 P0DMS8 4/20 0.49
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.47
APAF1 O14727 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3320300 0.87 MEN1 (0.51) MEN1KMT2AGAAPOLBRAC1
Hydrochloric Acid SCHEMBL3319765 0.86 MEN1 (0.50) MEN1KMT2AGAAPOLBRAC1
SCHEMBL3321024 0.78 RAC1 (0.56) MEN1KMT2APOLBRAC1KDM4E
Hydrochloric Acid SCHEMBL3321900 0.77 RAC1 (0.57) MEN1KMT2APOLBRAC1KDM4E
SCHEMBL3321121 0.76 RAC1 (0.59) MEN1KMT2AGAAPOLBRAC1
Hydrochloric Acid SCHEMBL3318063 0.75 RAC1 (0.60) MEN1KMT2AGAAPOLBRAC1
SCHEMBL3320127 0.72 KDM4E (0.75) MEN1KMT2AGAAPOLBRAC1
SCHEMBL3325275 0.72 RAC1 (0.61) MEN1KMT2AGAAPOLBRAC1
Hydrochloric Acid SCHEMBL3318494 0.71 RAC1 (0.74) MEN1KMT2AGAAPOLBRAC1
Hydrochloric Acid SCHEMBL3318499 0.71 RAC1 (0.74) MEN1KMT2AGAAPOLBRAC1

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 5 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 claimed
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 MEN1 2013/4885KMT2A 4112/4885GAA 3902/4885

“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.