SCHEMBL192947

SCHEMBL192947

COc1cc(CC(=O)NCCc2ccc(-c3ccccc3)c(OC)c2OC)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MCL1 Q07820 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 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
SCHEMBL127861 0.90 POLB (0.48) KMT2APOLBLMNASMN1; SMN2MCL1
SCHEMBL147264 0.90 SMN1; SMN2 (0.57) KMT2APOLBLMNASMN1; SMN2MEN1
SCHEMBL11444921 0.85 LMNA (0.61) KMT2APOLBLMNASMN1; SMN2TAAR1
SCHEMBL194757 0.85 LMNA (0.59) KMT2APOLBLMNASMN1; SMN2MCL1
SCHEMBL129736 0.84 POLB (0.46) KMT2APOLBLMNASMN1; SMN2MCL1
SCHEMBL129021 0.83 KMT2A (0.50) KMT2APOLBLMNASMN1; SMN2TAAR1
SCHEMBL192786 0.83 LMNA (0.61) KMT2APOLBLMNASMN1; SMN2TAAR1
SCHEMBL28000837 0.80 KMT2A (0.64) KMT2APOLBLMNASMN1; SMN2TAAR1
SCHEMBL6381209 0.77 CA1 (0.61) KMT2APOLBLMNAMEN1
SCHEMBL147536 0.76 SMN1; SMN2 (0.64) KMT2APOLBLMNASMN1; SMN2MEN1

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 6 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-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 KMT2A 3183/4885POLB 2630/4885LMNA 4243/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KMT2A 2296/4885POLB 2698/4885LMNA 3821/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KMT2A 2237/4885POLB 3196/4885LMNA 3733/4885

“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.