SCHEMBL192786

SCHEMBL192786

COc1cc(CC(=O)NCCc2ccc(Br)c(OC)c2OC)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TAAR1 Q96RJ0 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL148633 0.92 KMT2A (0.58) LMNAKMT2APOLBMEN1CA1
SCHEMBL11444921 0.90 LMNA (0.61) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL129828 0.89 KMT2A (0.51) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL13076594 0.86 LMNA (0.69) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL129770 0.85 KMT2A (0.50) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL129848 0.85 KMT2A (0.50) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL192947 0.83 KMT2A (0.54) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL6381209 0.81 CA1 (0.61) LMNAKMT2APOLBMEN1CA1
SCHEMBL149155 0.80 KMT2A (0.55) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL6378383 0.80 MEN1 (0.79) LMNAKMT2AMEN1ALDH1A1CA1

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 LMNA 4243/4885KMT2A 3183/4885POLB 2630/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L LMNA 3821/4885KMT2A 2296/4885POLB 2698/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L LMNA 3733/4885KMT2A 2237/4885POLB 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.