SCHEMBL923873

SCHEMBL923873

COc1ccc2ncc(=O)n(C(C)CN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
KCNH2 Q12809 6/20 0.46
KCNQ1 P51787 1/20 0.41
CACNA1C Q13936 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
HPGDS O60760 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 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
SCHEMBL921794 0.85 MCHR1 (0.45) SLC2A1KCNH2SIGMAR1MAPT
SCHEMBL708599 0.85 KCNH2 (0.43) KCNH2KCNQ1CACNA1C
SCHEMBL920361 0.83 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL707691 0.82 KCNH2 (0.40) SLC2A1KCNH2KCNQ1CACNA1C
SCHEMBL20995967 0.77 CYP11B1 (0.47) KCNH2HPGDS
SCHEMBL20995965 0.77 CYP11B1 (0.47) KCNH2HPGDS
SCHEMBL2688408 0.77 KCNH2 (0.71) KCNH2
SCHEMBL708298 0.75 KCNH2 (0.77) KCNH2KCNQ1CACNA1C
SCHEMBL921236 0.72 KCNH2 (0.53) KCNH2KCNQ1CACNA1C
SCHEMBL3357330 0.72 KCNH2 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SLC2A1 3287/4885KCNH2 4242/4885KCNQ1 2681/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SLC2A1 3287/4885KCNH2 4242/4885KCNQ1 2681/4885

“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.