SCHEMBL9986235

SCHEMBL9986235

COc1cc2cc(-c3cccc(-c4cccc(C(C)(C)C)c4)c3)nc(C)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.61
KDM4E B2RXH2 5/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.48
KIF11 P52732 1/20 0.42
ACACA Q13085 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 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
SCHEMBL9984208 0.97 RAC1 (0.64) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL12072755 0.93 RAC1 (0.62) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL147920 0.87 RAC1 (0.71) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL9986250 0.85 KDM4E (0.51) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL215619 0.85 RAC1 (0.73) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL12072031 0.84 RAC1 (0.44) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL14927101 0.84 KIF11 (0.46) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL9985323 0.82 KDM4E (0.53) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL13076486 0.82 RAC1 (0.68) RAC1KDM4EMAPTMEN1KMT2A
SCHEMBL9984197 0.81 RAC1 (0.45) RAC1KDM4EMAPTMEN1KMT2A

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 7 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

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 RAC1 356/4885KDM4E 2572/4885MAPT 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.