SCHEMBL921318

SCHEMBL921318

O=C(O)NC1CCN(CCn2c(=O)cnc3cc(F)cc(F)c32)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SSTR4 P31391 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CCR3 P51677 3/20 0.36
MCHR1 Q99705 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL921407 0.84 KCNH2 (0.44) KCNH2SIGMAR1
SCHEMBL921511 0.84 KCNH2 (0.41) KCNH2L3MBTL1SSTR4SIGMAR1CCR3
SCHEMBL921167 0.84 KCNH2 (0.46) KCNH2L3MBTL1
SCHEMBL923158 0.83 KCNH2 (0.47) KCNH2
SCHEMBL705682 0.83 KCNH2 (0.38) KCNH2
SCHEMBL924650 0.82 KCNH2 (0.52) KCNH2
SCHEMBL703858 0.80 KCNH2 (0.33) KCNH2
SCHEMBL4300038 0.78 KCNH2 (0.46) KCNH2
SCHEMBL2686089 0.78 KCNH2 (0.61) KCNH2
SCHEMBL9957784 0.77 KDM4E (0.52) KCNH2MCHR1

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 KCNH2 4242/4885L3MBTL1 1630/4885SSTR4 4829/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885L3MBTL1 1630/4885SSTR4 4829/4885

“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.