SCHEMBL16619657

SCHEMBL16619657

O=C(O)CCC(=O)NCCc1ccc(NC(=O)CN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 3/20 0.43
CNR1 P21554 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL16620250 0.89 CNR1 (0.46) HPGDALOX15TDP1SMN1; SMN2CNR1
SCHEMBL16619343 0.88 POLB (0.46) HPGDALOX15TDP1POLBHTR1A
SCHEMBL16626929 0.85 POLB (0.43) HPGDALOX15TDP1POLBHTR1A
SCHEMBL19876848 0.84 TDP1 (0.46) HPGDALOX15TDP1SMN1; SMN2CNR1
SCHEMBL16626914 0.84 POLB (0.42) HPGDALOX15TDP1POLBALDH1A1
SCHEMBL16619869 0.84 TAS1R3 (0.43) SMN1; SMN2POLBCNR1HTR1ADRD2
SCHEMBL20393852 0.83 POLB (0.41) HPGDALOX15TDP1POLB
SCHEMBL16626910 0.82 HTT (0.41) POLBALDH1A1
SCHEMBL16626961 0.82 HTR1A (0.46) TDP1SMN1; SMN2POLBHTR1ADRD2
SCHEMBL16619803 0.82 CA1 (0.46) TDP1SMN1; SMN2POLBHTR1ADRD2

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-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety Universitetet | Oslo (NO) 2019-03-12 US disclosed
EP-3052135-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
EP-3052135-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY Universitetet I Oslo (NO) 2016-08-10 EP disclosed
WO-2015049546-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIVERSITETET I OSLO (NO) 2015-04-09 WO 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-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 HPGD 1306/4885ALOX15 871/4885TDP1 2844/4885

“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.