SCHEMBL3065335

SCHEMBL3065335

COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(C)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
HPGD P15428 6/20 0.68
ALDH1A1 P00352 5/20 0.68
MAPT P10636 5/20 0.68
NPSR1 Q6W5P4 5/20 0.68
RXFP1 Q9HBX9 2/20 0.68
KMT2A Q03164 5/20 0.67
MEN1 O00255 2/20 0.67
SQOR Q9Y6N5 4/20 0.67
GAA P10253 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
GLA P06280 2/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
PAX8 Q06710 1/20 0.60
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5476895 0.93 KMT2A (0.79) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL5470565 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL6250197 0.87 MEN1 (0.87) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL5484419 0.84 SQOR (0.56) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL31120373 0.82 KMT2A (0.79) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL6252557 0.82 KMT2A (0.79) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL1677809 0.81 KMT2A (0.53) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL11937166 0.81 ADORA1 (0.71) KDM4EHPGDALDH1A1NPSR1KMT2A
SCHEMBL22208364 0.80 SQOR (1.00) KDM4EHPGDALDH1A1MAPTNPSR1
SCHEMBL29442333 0.80 SQOR (1.00) KDM4EHPGDALDH1A1MAPTNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618327-B2 Antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 US disclosed
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 US disclosed
US-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-06-07 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 (4 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT KDM4E 285/4885HPGD 1003/4885ALDH1A1 1758/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 KDM4E 247/4885HPGD 1953/4885ALDH1A1 1754/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 KDM4E 227/4885HPGD 1078/4885ALDH1A1 1795/4885
US-20070128658-A1 FLUORESCENT DYES, METHODS AND USES THEREOF DHX15, DHX35, DUT KDM4E 1669/4885HPGD 3122/4885ALDH1A1 2503/4885

“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.