SCHEMBL923788

SCHEMBL923788

O=C(O)NC1CCN(CCn2c(=O)nnc3ccc(Cl)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KMO O15229 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A12 P48065 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 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
SCHEMBL3857728 0.85 KCNH2 (0.52) CNR2KCNH2
SCHEMBL706495 0.82 TMEM97 (0.41) KMOKCNH2
SCHEMBL921624 0.80 CNR2 (0.41) CNR2UBE2MDCUN1D1SLC6A12SIGMAR1
SCHEMBL707920 0.79 TACR1 (0.38) UBE2MDCUN1D1KMOKCNH2
SCHEMBL5133971 0.79 TMEM97 (0.43) KMOKCNH2
SCHEMBL921242 0.74 KCNH2 (0.64) KCNH2
SCHEMBL2686089 0.72 KCNH2 (0.61) KCNH2
SCHEMBL924650 0.72 KCNH2 (0.52) CNR2KCNH2
SCHEMBL707451 0.72 KCNH2 (0.68) KCNH2
SCHEMBL921626 0.71 UBE2M (0.42) CNR2UBE2MDCUN1D1KCNH2SLC6A12

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 CNR2 4145/4885UBE2M 1931/4885DCUN1D1 2937/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CNR2 4145/4885UBE2M 1931/4885DCUN1D1 2937/4885

“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.