SCHEMBL704593

SCHEMBL704593

COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 20/20 1.00
KCNQ1 P51787 1/20 0.68
CACNA1C Q13936 1/20 0.68

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
Hydrochloric Acid SCHEMBL2794628 0.99 KCNH2 (0.98) KCNH2KCNQ1CACNA1C
SCHEMBL2795199 0.97 KCNH2 (0.94) KCNH2KCNQ1CACNA1C
SCHEMBL5133522 0.96 KCNH2 (0.92) KCNH2KCNQ1CACNA1C
SCHEMBL3873763 0.94 KCNH2 (0.89) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL4136901 0.94 KCNH2 (0.88) KCNH2KCNQ1CACNA1C
SCHEMBL3863200 0.92 KCNH2 (0.85) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3868060 0.91 KCNH2 (0.84) KCNH2KCNQ1CACNA1C
SCHEMBL4144990 0.91 KCNH2 (0.84) KCNH2KCNQ1CACNA1C
SCHEMBL4299493 0.90 KCNH2 (0.82) KCNH2KCNQ1CACNA1C
SCHEMBL705357 0.90 KCNH2 (1.00) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP claimed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US claimed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO claimed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP 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
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2008071981-A1 PIPERIDINES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
WO-2008071981-A1 PIPERIDINES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP 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 (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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885KCNQ1 240/4885CACNA1C 1832/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885KCNQ1 297/4885CACNA1C 4176/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885KCNQ1 2681/4885CACNA1C 4809/4885

“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.