SCHEMBL921626

SCHEMBL921626

O=C(O)NC1CCN(CCN2C(=O)NN(O)c3ccc(Cl)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CFTR P13569 1/20 0.41
UBE2I P63279 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
GOPC Q9HD26 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
SLC6A12 P48065 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
ADRA1B P35368 2/20 0.40
HTR1A P08908 1/20 0.39
MCHR1 Q99705 1/20 0.39
KCNH2 Q12809 1/20 0.38
NR2F2 P24468 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5133434 0.80 ADRA1B (0.43) KMT2AMEN1CFTRUBE2IHKDC1
SCHEMBL706132 0.79 MEN1 (0.36) UBE2MDCUN1D1KMT2AMEN1CFTR
SCHEMBL922935 0.76 KMO (0.61) KMT2AMEN1ADRA1BMCHR1KCNH2
SCHEMBL706988 0.73 KCNH2 (0.76) KCNH2
SCHEMBL923788 0.71 CNR2 (0.43) UBE2MDCUN1D1KMT2ASLC6A12SIGMAR1
SCHEMBL3587801 0.70 SIGMAR1 (0.61) UBE2MDCUN1D1SIGMAR1KCNH2
SCHEMBL3600901 0.68 KDM1A (0.61) UBE2MDCUN1D1KMT2AMEN1SIGMAR1
SCHEMBL3586870 0.68 SIGMAR1 (0.55) SIGMAR1KCNH2
SCHEMBL16344645 0.68 NOTUM (0.45) SLC6A12SIGMAR1MCHR1
SCHEMBL3590338 0.68 SIGMAR1 (0.73) KMT2AMEN1SLC6A12SIGMAR1MCHR1

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 4 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
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

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 UBE2M 1931/4885DCUN1D1 2937/4885KMT2A 3561/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK UBE2M 1931/4885DCUN1D1 2937/4885KMT2A 3561/4885

“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.