SCHEMBL707118

SCHEMBL707118

COc1ccc2c(c1)N(CCN1CCC(N)CC1=O)C(=O)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
PIK3CG P48736 3/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM1 P11229 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMPD1 P17405 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
Trifluoroacetic Acid SCHEMBL706978 0.92 KCNH2 (0.45) KCNH2MAPTHSD17B10CHRM1NPC1
SCHEMBL704556 0.86 KCNH2 (0.61) KCNH2L3MBTL1PIK3CGMAPTHSD17B10
SCHEMBL923052 0.83 KCNH2 (0.53) KCNH2MAPTHSD17B10CHRM1NPC1
SCHEMBL26654701 0.82 KCNH2 (0.49) KCNH2L3MBTL1PIK3CGMAPTHSD17B10
SCHEMBL705942 0.82 KCNH2 (0.49) KCNH2PIK3CGMAPTPOLBALDH1A1
SCHEMBL706836 0.80 KCNH2 (0.48) KCNH2L3MBTL1PIK3CGMAPTHSD17B10
SCHEMBL706835 0.80 KCNH2 (0.48) KCNH2L3MBTL1PIK3CGMAPTHSD17B10
SCHEMBL707698 0.80 KCNH2 (0.46) KCNH2MAPTHSD17B10CHRM1NPC1
Trifluoroacetic Acid SCHEMBL707289 0.79 KCNH2 (0.54) KCNH2MAPTHSD17B10CHRM1NPC1
SCHEMBL706979 0.77 CACNA1S (0.35) KCNH2CHRM1DRD2TSHR

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 4242/4885L3MBTL1 1630/4885PIK3CG 277/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885L3MBTL1 1630/4885PIK3CG 277/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885L3MBTL1 1630/4885PIK3CG 277/4885

“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.