SCHEMBL923797

SCHEMBL923797

N#Cc1ccc2c(c1)N(CCN1CCC(NC(=O)O)CC1=O)C(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM1 P11229 9/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
DRD2 P14416 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
MCHR1 Q99705 1/20 0.42
KMO O15229 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL921491 0.89 KCNH2 (0.61) KCNH2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL923052 0.84 KCNH2 (0.53) KCNH2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL705942 0.84 KCNH2 (0.49) KCNH2MEN1KMT2ACYP3A4HRH1
SCHEMBL923759 0.83 MEN1 (0.49) KCNH2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL923758 0.83 MEN1 (0.49) KCNH2MEN1KMT2ACYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL705792 0.82 KCNH2 (0.43) KCNH2MEN1KMT2ACYP3A4KMO
SCHEMBL705628 0.81 KCNH2 (0.44) KCNH2MEN1KMT2ACYP3A4CHRM1
SCHEMBL921621 0.80 KCNH2 (0.49) KCNH2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL707759 0.79 KCNH2 (0.83) KCNH2
SCHEMBL7279865 0.77 KMO (0.68) KCNH2MEN1KMT2ACYP3A4CYP2D6

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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KCNH2 4242/4885MEN1 2771/4885KMT2A 3561/4885
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.