SCHEMBL9986006

SCHEMBL9986006

COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CO)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
ACACA Q13085 1/20 0.50
RAC1 P63000 4/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.42

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
SCHEMBL9986765 0.88 KDM4E (0.53) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL9986250 0.87 KDM4E (0.51) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL12070768 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL14927107 0.84 MAPT (0.37) KDM4EALDH1A1MAPTACACAMEN1
SCHEMBL9985323 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL147920 0.82 RAC1 (0.71) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL9986982 0.81 MEN1 (0.51) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL215619 0.81 RAC1 (0.73) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL9986686 0.81 MEN1 (0.51) KDM4EALDH1A1MAPTACACARAC1
SCHEMBL12070673 0.79 RAC1 (0.49) KDM4EALDH1A1MAPTACACARAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 KDM4E 2572/4885ALDH1A1 3341/4885MAPT 4783/4885

“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.