SCHEMBL704086

SCHEMBL704086

N#Cc1ccc2c(c1)N(CCC1CCC(N)CC1)C(=O)CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
PIK3CG P48736 1/20 0.40
KMO O15229 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP30 Q70CQ3 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL704085 1.00 KCNH2 (0.47) KCNH2POLBMAPTPIK3CGKMO
SCHEMBL5133517 0.88 KCNH2 (0.51) KCNH2POLBMAPTPIK3CGKMO
SCHEMBL708349 0.85 KCNH2 (0.59) KCNH2PIK3CGKMOUSP30CHRM1
SCHEMBL923759 0.84 MEN1 (0.49) KCNH2POLBMAPTKMODRD2
SCHEMBL923758 0.84 MEN1 (0.49) KCNH2POLBMAPTKMODRD2
SCHEMBL2700375 0.81 KCNH2 (0.42) KCNH2POLBMAPTPIK3CGKMO
SCHEMBL921241 0.81 KCNH2 (0.42) KCNH2POLBMAPTPIK3CGKMO
SCHEMBL706952 0.81 KCNH2 (0.43) KCNH2POLBMAPTKMODRD2
SCHEMBL706951 0.81 KCNH2 (0.43) KCNH2POLBMAPTKMODRD2
SCHEMBL706836 0.80 KCNH2 (0.48) KCNH2POLBMAPTPIK3CGMEN1

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 KCNH2 4242/4885POLB 449/4885MAPT 2405/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885POLB 449/4885MAPT 2405/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885POLB 449/4885MAPT 2405/4885

“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.