SCHEMBL196289

SCHEMBL196289

COc1cc2cc(-c3cccc(O)c3)nc(C)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
GAA P10253 2/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 5/20 0.64
MAPT P10636 2/20 0.64
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 3/20 0.55
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
BRAF P15056 1/20 0.44
ACACA Q13085 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL13076486 0.86 RAC1 (0.68) RAC1MEN1KMT2AGAAPOLB
SCHEMBL147920 0.84 RAC1 (0.71) RAC1MEN1KMT2AGAAPOLB
SCHEMBL3320127 0.84 KDM4E (0.75) RAC1MEN1KMT2AGAAPOLB
SCHEMBL3321563 0.83 RAC1 (0.65) RAC1MEN1KMT2AGAAPOLB
SCHEMBL215619 0.83 RAC1 (0.73) RAC1MEN1KMT2AGAAPOLB
SCHEMBL3325275 0.83 RAC1 (0.61) RAC1MEN1KMT2AGAAPOLB
SCHEMBL14927097 0.82 HSD17B1 (0.46) RAC1MEN1KMT2AGAAPOLB
Hydrochloric Acid SCHEMBL3318499 0.82 RAC1 (0.74) RAC1MEN1KMT2AGAAPOLB
Hydrochloric Acid SCHEMBL3318494 0.82 RAC1 (0.74) RAC1MEN1KMT2AGAAPOLB
Hydrochloric Acid SCHEMBL3320593 0.82 RAC1 (0.66) RAC1MEN1KMT2AGAAPOLB

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 12 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-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-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
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
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (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 RAC1 356/4885MEN1 1251/4885KMT2A 3183/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 331/4885MEN1 623/4885KMT2A 2296/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 254/4885MEN1 580/4885KMT2A 2237/4885

“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.