SCHEMBL129770

SCHEMBL129770

COc1c(Br)ccc(CCNC(=O)Cc2ccc(CO)c(CO)c2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL129848 0.86 KMT2A (0.50) KMT2APOLBLMNAMEN1KDM4E
SCHEMBL148633 0.86 KMT2A (0.58) KMT2APOLBLMNAMEN1L3MBTL1
SCHEMBL129828 0.86 KMT2A (0.51) KMT2APOLBLMNAMEN1CA1
SCHEMBL192786 0.85 LMNA (0.61) KMT2APOLBLMNAMEN1KDM4E
SCHEMBL129736 0.82 POLB (0.46) KMT2APOLBLMNAMEN1ALDH1A1
SCHEMBL6381209 0.76 CA1 (0.61) KMT2APOLBLMNAMEN1L3MBTL1
SCHEMBL9988696 0.76 MTNR1A (0.54) SMN1; SMN2
SCHEMBL11444921 0.75 LMNA (0.61) KMT2APOLBLMNAMEN1KDM4E
SCHEMBL128855 0.74 KMT2A (0.52) KMT2APOLBMEN1KDM4EL3MBTL1
SCHEMBL13076594 0.74 LMNA (0.69) KMT2APOLBLMNAMEN1KDM4E

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 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.