SCHEMBL921920

SCHEMBL921920

COC(=O)C1CN(C(=O)O)CCC1CCCN1C(=O)COc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 4/20 0.38
CHRM1 P11229 3/20 0.37
TP53 P04637 1/20 0.37
KMO O15229 1/20 0.36
MAPT P10636 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
SCHEMBL705700 0.90 UTS2R (0.42) KCNH2MEN1KMT2A
SCHEMBL707026 0.86 KCNH2 (0.39) KCNH2MEN1KMT2ATSHRPOLB
SCHEMBL706093 0.85 KCNH2 (0.42) KCNH2MEN1KMT2ATSHRPOLB
Trifluoroacetic Acid SCHEMBL707025 0.82 KCNH2 (0.39) KCNH2MEN1KMT2ATSHRPOLB
SCHEMBL707477 0.80 CHRM1 (0.39) KCNH2MEN1KMT2ATSHRCHRM1
SCHEMBL707478 0.80 CHRM1 (0.39) KCNH2MEN1KMT2ATSHRCHRM1
SCHEMBL7268703 0.73 KMO (0.51) KCNH2MEN1KMT2ATSHRPOLB
SCHEMBL708615 0.73 KCNH2 (0.43) KCNH2MEN1KMT2ATSHRPOLB
SCHEMBL706163 0.72 KCNH2 (0.38) KCNH2CHRM1KMO
SCHEMBL706162 0.72 KCNH2 (0.38) KCNH2CHRM1KMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885MEN1 2771/4885KMT2A 3561/4885

“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.