SCHEMBL16626960

SCHEMBL16626960

FC(F)(F)c1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.56
KCNH2 Q12809 2/20 0.53
KDM1A O60341 1/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA2 P00918 1/20 0.46
RXRA P19793 6/20 0.45
GRIN1 Q05586 6/20 0.45
GRIN2B Q13224 6/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIN28A Q9H9Z2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
CA1 P00915 1/20 0.42
AMY1A P0DUB6 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
SCHEMBL16626928 0.85 RXRA (0.65) KCNH2RXRAGRIN1GRIN2BFLT1
SCHEMBL24336729 0.84 MAPT (0.46) NOTUMCA12CA9RXRAGRIN1
SCHEMBL19889344 0.84 RXRA (0.59) NOTUMRXRAGRIN1GRIN2BMAPT
SCHEMBL19876881 0.81 TDP1 (0.46) KCNH2RXRAGRIN1GRIN2BMAPT
SCHEMBL16626941 0.81 P2RX7 (0.56) NOTUMKDM1ACA12CA9CA2
SCHEMBL19876933 0.80 MAOA (0.45) NOTUMCA12CA9RXRAGRIN1
SCHEMBL29574404 0.79 RXRA (0.44) NOTUMKCNH2CA12CA9RXRA
SCHEMBL19876876 0.78 HSP90AB1 (0.46) NOTUMCA12CA9MAPTSMN1; SMN2
SCHEMBL23642837 0.77 MAPT (0.40) NOTUMCA12CA9RXRAGRIN1
SCHEMBL28308415 0.76 MAPT (0.43) NOTUMCA2RXRAGRIN1GRIN2B

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 427/4885KCNH2 2836/4885KDM1A 2152/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 NOTUM 427/4885KCNH2 2836/4885KDM1A 2152/4885

“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.