SCHEMBL195059

SCHEMBL195059

COc1cc2cc(-c3cc(OC)c(OC)c(OS(=O)(=O)C(F)(F)F)c3)nc(C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 4/20 0.48
RAC1 P63000 4/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 2/20 0.36
NQO2 P16083 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL129769 0.87 PDE5A (0.41) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL9984940 0.86 GAA (0.38) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL14927115 0.81 KMT2A (0.35) KDM4EKMT2AMEN1MAPTGAA
SCHEMBL146351 0.81 RAC1 (0.57) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL152920 0.78 KDM4E (0.42) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL195376 0.75 RAC1 (0.69) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL12072784 0.75 NPC1 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL14930629 0.74 RAC1 (0.60) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL12074221 0.74 PDGFRB (0.58)
SCHEMBL194817 0.73 KDM4E (0.59) KDM4EKMT2AMEN1NPC1RAB9A

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US 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 (3 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 2572/4885KMT2A 3183/4885MEN1 1251/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885KMT2A 2296/4885MEN1 623/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885KMT2A 2237/4885MEN1 580/4885

“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.