SCHEMBL16619393

SCHEMBL16619393

O=C(O)NCCc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ACHE P22303 3/20 0.52
RORC P51449 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.50
BCHE P06276 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM1A O60341 1/20 0.49
NPC1 O15118 1/20 0.49
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL16620250 0.85 CNR1 (0.46) MAPTHTTRAB9ANPC1CNR1
SCHEMBL16619432 0.84 ACHE (0.54) ACHERORCKDM4EALDH1A1MAPT
SCHEMBL18010328 0.83 POLB (0.46) CA1CA2CA9ACHERORC
SCHEMBL16620336 0.83 POLB (0.46) CA1CA2CA9ACHERORC
SCHEMBL27650715 0.83 MEN1 (0.60) ACHERORCKDM4EALDH1A1MAPT
SCHEMBL18030928 0.80 CA1 (0.45) CA1CA2CA9ACHERORC
SCHEMBL20798471 0.80 POLB (0.45) CA1CA2CA9ACHERORC
SCHEMBL19876848 0.80 TDP1 (0.46) MAPTHTTRAB9ANPC1CNR1
SCHEMBL19876843 0.79 CNR1 (0.50) MAPTHTTRAB9AMEN1KMT2A
SCHEMBL28102096 0.79 MAPT (0.51) ACHERORCKDM4EALDH1A1MAPT

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 5 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
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
EP-3052135-A1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY Universitetet I Oslo (NO) 2016-08-10 EP 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 CA1 2957/4885CA2 2702/4885CA9 2311/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 CA1 2957/4885CA2 2702/4885CA9 2311/4885

“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.