SCHEMBL707006

SCHEMBL707006

CC(C)(C)N(C(=O)O)C1CCN(CCn2c(=O)cnc3c(F)cc(F)cc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KCNH2 Q12809 6/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ADORA2A P29274 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
SSTR4 P31391 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL707111 0.85 KCNH2 (0.45) KCNH2
SCHEMBL703858 0.85 KCNH2 (0.33) KCNH2UBE2MDCUN1D1
SCHEMBL709299 0.85 KCNH2 (0.39) KCNH2
SCHEMBL704124 0.83 KCNH2 (0.38) KCNH2HTR2A
SCHEMBL705075 0.83 KCNH2 (0.36) TNKSPARP1TNKS2KCNH2UBE2M
SCHEMBL9986083 0.81 KCNH2 (0.53) KCNH2
SCHEMBL921511 0.80 KCNH2 (0.41) KCNH2GRIN1GRIN2BSSTR4
SCHEMBL707961 0.79 KCNH2 (0.40) KCNH2
SCHEMBL706134 0.79 KCNH2 (0.39) KCNH2GRIN1GRIN2BADORA2A
SCHEMBL707469 0.78 KCNH2 (0.43) KCNH2

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TNKS 1969/4885PARP1 1482/4885TNKS2 3508/4885

“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.