SCHEMBL16626930

SCHEMBL16626930

COc1ccc2cc(-n3cc(CN(Cc4ccccn4)Cc4ccccn4)nn3)ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
RXRA P19793 6/20 0.46
GRIN1 Q05586 6/20 0.46
GRIN2B Q13224 6/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
P2RX7 Q99572 1/20 0.45
HSP90AB1 P08238 1/20 0.45
CA2 P00918 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 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
SCHEMBL16626941 0.90 P2RX7 (0.56) NOTUMRXRAGRIN1GRIN2BCA12
SCHEMBL16619998 0.83 ALDH1A1 (0.48) RXRAGRIN1GRIN2B
SCHEMBL16626927 0.80 RXRA (0.47) RXRAGRIN1GRIN2BKDM4E
SCHEMBL19889344 0.79 RXRA (0.59) NOTUMRXRAGRIN1GRIN2B
SCHEMBL16626928 0.78 RXRA (0.65) RXRAGRIN1GRIN2B
SCHEMBL19876881 0.77 TDP1 (0.46) RXRAGRIN1GRIN2BHSP90AB1KDM4E
SCHEMBL24336729 0.77 MAPT (0.46) NOTUMRXRAGRIN1GRIN2BCA12
SCHEMBL16620124 0.76 HSP90AB1 (0.61) HSP90AB1
SCHEMBL21365233 0.74 MIF (0.45) RXRAGRIN1GRIN2BP2RX7HSP90AB1
SCHEMBL29574404 0.74 RXRA (0.44) NOTUMRXRAGRIN1GRIN2BCA12

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 NOTUM 427/4885RXRA 4511/4885GRIN1 1664/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 NOTUM 427/4885RXRA 4511/4885GRIN1 1664/4885

“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.