Sugi Predict

Sugi Predict / Compounds / SCHEMBL9986250

SCHEMBL9986250

SCHEMBL9986250

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RAC1 P63000 4/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL9985323 0.98 KDM4E (0.53) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL9986765 0.92 KDM4E (0.53) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL9985856 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL9986006 0.87 KDM4E (0.56) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL12070692 0.86 KDM4E (0.47) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL14927103 0.86 KIF11 (0.40) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL9986235 0.85 RAC1 (0.61) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL16499500 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL12070704 0.84 KDM4E (0.49) KDM4EALDH1A1MAPTRAC1MEN1
SCHEMBL14927111 0.83 CTSK (0.42) KDM4EALDH1A1MAPTCTSSCTSK

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.