SCHEMBL16626928

SCHEMBL16626928

FC(F)(F)Oc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.65
GRIN1 Q05586 13/20 0.65
GRIN2B Q13224 13/20 0.65
KCNH2 Q12809 4/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 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
SCHEMBL16626960 0.85 NOTUM (0.56) RXRAGRIN1GRIN2BKCNH2FLT1
SCHEMBL16626941 0.85 P2RX7 (0.56) RXRAGRIN1GRIN2B
SCHEMBL19876881 0.81 TDP1 (0.46) RXRAGRIN1GRIN2BKCNH2
SCHEMBL24336729 0.81 MAPT (0.46) RXRAGRIN1GRIN2B
SCHEMBL19889344 0.81 RXRA (0.59) RXRAGRIN1GRIN2B
SCHEMBL19219453 0.79 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL16626930 0.78 NOTUM (0.47) RXRAGRIN1GRIN2B
SCHEMBL19876933 0.77 MAOA (0.45) RXRAGRIN1GRIN2B
SCHEMBL12766882 0.76 RXRA (0.53) RXRAGRIN1GRIN2BKCNH2FLT1
SCHEMBL29574404 0.76 RXRA (0.44) RXRAGRIN1GRIN2BKCNH2

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
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.