SCHEMBL706097

SCHEMBL706097

COc1ccc2[nH]c(=O)cnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
ENGASE Q8NFI3 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
DGAT1 O75907 3/20 0.38
ADORA2A P29274 2/20 0.36
KCNH2 Q12809 2/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ENPP2 Q13822 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL25254373 0.77 CSNK2A1 (0.42) NOS1MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL19153801 0.77 NOS1 (0.43) NOS1NOS2MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL30321003 0.77 CSNK2A1 (0.42) NOS1MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL30441192 0.76 KMT2A (0.37) DDAH1SARM1IDO2ENGASESIRT2
SCHEMBL21855940 0.74 MAPKAPK2 (0.42) SIRT2MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL31067714 0.74 MAPKAPK2 (0.42) SIRT2MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL600816 0.73 SIRT2 (0.42) SIRT2SIRT1MAPKAPK2RPS6KA3CSNK2A1
SCHEMBL18237706 0.73 MAPKAPK2 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3KMT2A
SCHEMBL30564985 0.72 SIRT2 (0.45) SIRT2SIRT1ADORA2AALDH1A1CYP1A2
SCHEMBL8345240 0.72 SIRT2 (0.45) SIRT2SIRT1ADORA2AALDH1A1CYP1A2

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 6 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-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 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 (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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DDAH1 2490/4885SARM1 3849/4885IDO2 2439/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DDAH1 2490/4885SARM1 3849/4885IDO2 2439/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DDAH1 2490/4885SARM1 3849/4885IDO2 2439/4885

“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.