SCHEMBL708034

SCHEMBL708034

COc1ccc2c(c1)N(CCO)C(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CBX7 O95931 1/20 0.51
CDYL2 Q8N8U2 1/20 0.51
CDYL Q9Y232 1/20 0.51
CDY1; CDY1B Q9Y6F8 1/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALOX15 P16050 1/20 0.50
KCNH2 Q12809 2/20 0.49
KMO O15229 1/20 0.49
PIK3CG P48736 3/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
SMPD1 P17405 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4047656 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL2947181 0.83 HTT (0.70) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL4098128 0.83 ALOX15 (0.49) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL4098126 0.83 ALOX15 (0.49) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL706984 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL30665902 0.81 DRD2 (0.58) L3MBTL1KCNH2SMPD1
SCHEMBL26654701 0.81 KCNH2 (0.49) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL29663662 0.80 PDE3B (0.49) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL26654963 0.80 PDE3B (0.49) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL706229 0.80 KCNH2 (0.47) L3MBTL1ALDH1A1CBX7CDYL2CDYL

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 8 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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO 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 L3MBTL1 1630/4885ALDH1A1 2130/4885CBX7 4017/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK L3MBTL1 1630/4885ALDH1A1 2130/4885CBX7 4017/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK L3MBTL1 1630/4885ALDH1A1 2130/4885CBX7 4017/4885

“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.