SCHEMBL709251

SCHEMBL709251

COc1ccc2nc(C)c(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KCNQ1 P51787 1/20 0.39
CACNA1C Q13936 1/20 0.39
MMP2 P08253 1/20 0.38

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
SCHEMBL707472 0.86 KCNH2 (0.55) KCNH2KCNQ1CACNA1C
SCHEMBL923322 0.83 KCNH2 (0.51) KCNH2MTNR1AMTNR1BKCNQ1CACNA1C
SCHEMBL707943 0.83 KCNH2 (0.51) KCNH2
SCHEMBL9985880 0.81 KCNH2 (0.60) KCNH2
SCHEMBL708215 0.81 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL707117 0.80 GRM2 (0.39) KCNH2
SCHEMBL707469 0.76 KCNH2 (0.43) KCNH2
SCHEMBL707261 0.76 CNR2 (0.43) MTNR1AMTNR1B
SCHEMBL2797366 0.75 KCNH2 (0.42) KCNH2
SCHEMBL706061 0.74 KCNH2 (0.55) KCNH2KCNQ1CACNA1C

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-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

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 KCNH2 4242/4885MTNR1A 3693/4885MTNR1B 3471/4885

“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.