SCHEMBL2823536

SCHEMBL2823536

COc1ccc2ncc(C(=O)O)c(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 2/20 0.38
NNMT P40261 3/20 0.38
ERBB2 P04626 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3860536 0.87 L3MBTL1 (0.48) POLBTDP1L3MBTL1EGFRNNMT
SCHEMBL2821272 0.87 NNMT (0.50) POLBTDP1L3MBTL1EGFRNNMT
SCHEMBL5726874 0.84 TDP1 (0.50) POLBTDP1L3MBTL1NNMTALDH1A1
SCHEMBL2034625 0.83 POLB (0.49) POLBTDP1L3MBTL1EGFRNNMT
SCHEMBL2951473 0.83 MAPK1 (0.47) POLBTDP1ALDH1A1KDM4EHPGD
SCHEMBL15979039 0.81 KDM4E (0.37) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14361227 0.80 EGFR (0.41) POLBTDP1L3MBTL1EGFRNNMT
SCHEMBL14361288 0.79 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL2040415 0.79 EGFR (0.43) EGFRALDH1A1LMNAHTTNPC1
SCHEMBL5261837 0.78 EGFR (0.37) POLBTDP1L3MBTL1EGFRNNMT

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
WO-2006081178-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2006020561-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-23 WO disclosed
WO-2006017468-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed
WO-2006012396-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-02 WO disclosed
WO-2006010040-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-26 WO disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD POLB 394/4885TDP1 1707/4885L3MBTL1 2933/4885
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP POLB 1515/4885TDP1 4350/4885L3MBTL1 3582/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP POLB 1515/4885TDP1 4350/4885L3MBTL1 3582/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG POLB 301/4885TDP1 2671/4885L3MBTL1 1253/4885

“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.