SCHEMBL179690

SCHEMBL179690

COc1ccc(Br)cc1CCNC(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
POLB P06746 3/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GRK2 P25098 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL128855 0.91 KMT2A (0.52) CA1CA2POLBKMT2AMAPT
SCHEMBL129809 0.90 KMT2A (0.53) CA1CA2POLBKMT2AMAPT
SCHEMBL6380565 0.86 KMT2A (0.62) CA1CA2POLBKMT2AMAPT
SCHEMBL3546981 0.86 MAPT (0.72) CA1CA2POLBKMT2AMAPT
SCHEMBL3549058 0.84 CA1 (0.65) CA1CA2POLBKMT2AMAPT
SCHEMBL248400 0.84 CA1 (0.79) CA1CA2KMT2AMAPTL3MBTL1
SCHEMBL30738251 0.84 CA1 (0.79) CA1CA2KMT2AMAPTL3MBTL1
SCHEMBL146690 0.82 CA1 (0.69) CA1CA2POLBKMT2AMAPT
SCHEMBL148633 0.82 KMT2A (0.58) CA1CA2POLBKMT2AMAPT
SCHEMBL4075703 0.82 SMN1; SMN2 (0.55) POLBKMT2AMAPTL3MBTL1GRK2

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-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
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-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 CA1 4698/4885CA2 3868/4885POLB 2630/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 3802/4885CA2 1379/4885POLB 2698/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 4003/4885CA2 1626/4885POLB 3196/4885

“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.