SCHEMBL16626941

SCHEMBL16626941

COc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
MIF P14174 1/20 0.50
MAPK1 P28482 1/20 0.48
SLC6A9 P48067 1/20 0.48
KDM1A O60341 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
RXRA P19793 5/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2B Q13224 5/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL16626930 0.90 NOTUM (0.47) P2RX7CA12CA1CA2CA9
SCHEMBL19889344 0.86 RXRA (0.59) RXRAGRIN1GRIN2BNOTUM
SCHEMBL16626928 0.85 RXRA (0.65) RXRAGRIN1GRIN2B
SCHEMBL19876881 0.84 TDP1 (0.46) MIFPTGS2RXRAGRIN1GRIN2B
SCHEMBL24336729 0.84 MAPT (0.46) MIFCA12CA9RXRAGRIN1
SCHEMBL16620124 0.83 HSP90AB1 (0.61)
SCHEMBL16619998 0.83 ALDH1A1 (0.48) KDM1ARXRAGRIN1GRIN2B
SCHEMBL16626927 0.82 RXRA (0.47) RXRAGRIN1GRIN2B
SCHEMBL21365233 0.81 MIF (0.45) P2RX7MIFMAPK1SLC6A9RXRA
SCHEMBL29574404 0.81 RXRA (0.44) MIFCA12CA9RXRAGRIN1

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 P2RX7 4828/4885MIF 59/4885MAPK1 4099/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 P2RX7 4828/4885MIF 59/4885MAPK1 4099/4885

“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.