SCHEMBL16626927

SCHEMBL16626927

COc1cc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.47
GRIN1 Q05586 6/20 0.47
GRIN2B Q13224 6/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 1/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL16626917 0.83 HSP90AB1 (0.51) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL16626941 0.82 P2RX7 (0.56) RXRAGRIN1GRIN2B
SCHEMBL16626930 0.80 NOTUM (0.47) RXRAGRIN1GRIN2BKDM4E
SCHEMBL16619998 0.80 ALDH1A1 (0.48) RXRAGRIN1GRIN2BALDH1A1CHRNA7
SCHEMBL19889344 0.78 RXRA (0.59) RXRAGRIN1GRIN2BSMN1; SMN2POLB
SCHEMBL18028296 0.78 HSP90AB1 (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL19876881 0.76 TDP1 (0.46) RXRAGRIN1GRIN2BKDM4ESMN1; SMN2
SCHEMBL24336729 0.76 MAPT (0.46) RXRAGRIN1GRIN2BSMN1; SMN2MAPT
SCHEMBL6712868 0.74 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2POLBPKM
SCHEMBL21365233 0.74 MIF (0.45) RXRAGRIN1GRIN2BPKM

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 8 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
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-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US disclosed
US-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety UNIVERSITETET I OSLO (NO) 2016-08-25 US 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 (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-20160244431-A1 Inhibitors of Metallo-Beta-Lactamase (MBL) Comprising a Zinc Chelating Moiety SLC30A6, DDO, SLC30A7 RXRA 4511/4885GRIN1 1664/4885GRIN2B 1513/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 RXRA 4511/4885GRIN1 1664/4885GRIN2B 1513/4885

“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.