SCHEMBL127776

SCHEMBL127776

Cc1nc(O)cc2cc(CO)c(CO)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.33
SHBG P04278 1/20 0.32
PDXK O00764 1/20 0.32
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL127673 0.70 RAC1 (0.40) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1564340 0.69 CYP2A6 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL149852 0.69 RAC1 (0.56) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL14035377 0.68 CYP1A2 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL128040 0.68 RAC1 (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL27899380 0.65 GRIA1 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL129751 0.65 KDM4E (0.35) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4167074 0.65 MEN1 (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL29097469 0.65 PDE4A (0.39) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL30620971 0.65 PDE4A (0.39) MEN1KMT2APDE4APDE4BPDE4C

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 MEN1 1251/4885KMT2A 3183/4885PDE4A 2153/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MEN1 623/4885KMT2A 2296/4885PDE4A 1469/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MEN1 580/4885KMT2A 2237/4885PDE4A 1919/4885

“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.