SCHEMBL921237

SCHEMBL921237

N#Cc1ccc2ccc(=O)n(CCN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.63
SCN7A Q01118 2/20 0.49
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
PRKAA2 P54646 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL4789884 0.86 KCNH2 (0.66) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL21197944 0.86 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3359340 0.85 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355445 0.85 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3359338 0.85 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL923075 0.84 KCNH2 (0.47) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4133825 0.84 KCNH2 (0.59) KCNH2
SCHEMBL922035 0.84 KCNH2 (0.57) KCNH2
SCHEMBL921593 0.84 CNR2 (0.46) KCNH2
SCHEMBL706100 0.84 KCNH2 (0.45) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2021-02-25 US disclosed
EP-3746438-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Cadila Healthcare Limited (IN) 2020-12-09 EP disclosed
WO-2019145919-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2019-08-01 WO disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885SCN7A 1260/4885SCN5A 632/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885SCN7A 4165/4885SCN5A 2187/4885
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS ABCB11, DHPS, MRPL21 KCNH2 1415/4885SCN7A 2656/4885SCN5A 1368/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885SCN7A 4165/4885SCN5A 2187/4885

“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.