SCHEMBL920389

SCHEMBL920389

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP3A4 P08684 3/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.60
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
CHRM1 P11229 7/20 0.57
PLK1 P53350 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
DRD2 P14416 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2A P28223 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
ADRA1B P35368 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL921527 0.90 KCNH2 (0.59) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL924009 0.89 KCNH2 (0.63) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL922935 0.89 KMO (0.61) MEN1KMT2AHTTCHRM1CHRM2
SCHEMBL923592 0.89 KCNH2 (0.59) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL921108 0.88 KCNH2 (0.63) MEN1KMT2ACHRM1CHRM2CHRM4
SCHEMBL921359 0.87 KCNH2 (0.62) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL921533 0.86 CHRM1 (0.53) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL921491 0.86 KCNH2 (0.61) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL923142 0.86 CHRM1 (0.72) KMT2AHTTCHRM1CHRM2CHRM4
SCHEMBL4226939 0.85 CHRM1 (0.78) MEN1KMT2ACYP3A4CYP2C19CYP2D6

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 MEN1 2771/4885KMT2A 3561/4885CYP3A4 3414/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MEN1 2771/4885KMT2A 3561/4885CYP3A4 3414/4885

“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.