SCHEMBL16626904

SCHEMBL16626904

NC(=O)CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
LIN28A Q9H9Z2 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KCNA5 P22460 1/20 0.46
PARP10 Q53GL7 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPRA P18433 1/20 0.44
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
FDPS P14324 1/20 0.42
SLC1A5 Q15758 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
SCHEMBL29574264 0.92 SMN1; SMN2 (0.69) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL16626907 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL1066335 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL13715829 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL3854916 0.82 SMN1; SMN2 (0.63) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL16606317 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL30596278 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL15943374 0.80 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL14262997 0.80 SMN1; SMN2 (0.70) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL138261 0.79 SMN1; SMN2 (0.83) SMN1; SMN2MAPTLIN28ATDP1KCNA5

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
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 SMN1; SMN2 3740/4885MAPT 3945/4885LIN28A 1445/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 SMN1; SMN2 3740/4885MAPT 3945/4885LIN28A 1445/4885

“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.