SCHEMBL708277

SCHEMBL708277

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.59
SCN7A Q01118 3/20 0.55
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN8A Q9UQD0 1/20 0.52
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3353433 0.87 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355195 0.87 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355824 0.87 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4441211 0.87 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4789884 0.85 KCNH2 (0.66) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3353649 0.85 KCNH2 (0.51) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3351436 0.85 KCNH2 (0.51) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4779522 0.84 SCN7A (0.58) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL28468453 0.84 KCNH2 (0.53) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL921237 0.82 KCNH2 (0.63) KCNH2SCN7ASCN5ASCN2ASCN8A

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 20 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
CN-111757879-A Heterocyclic compounds useful as antibacterial agents 卡地拉健康护理有限公司 2020-10-09 CN disclosed
WO-2019145919-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2019-08-01 WO disclosed
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 CN disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 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
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
CN-101243068-A Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (5 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885SCN7A 4165/4885SCN5A 2187/4885
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.