SCHEMBL16619432

SCHEMBL16619432

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
RORC P51449 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 2/20 0.52
BCHE P06276 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM1A O60341 1/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL27650715 0.85 MEN1 (0.60) ACHERORCMAPTKDM4EALDH1A1
SCHEMBL16619393 0.84 CA1 (0.53) ACHERORCMAPTKDM4EALDH1A1
SCHEMBL28102096 0.83 MAPT (0.51) ACHERORCMAPTKDM4EALDH1A1
SCHEMBL16619803 0.82 CA1 (0.46) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9490013 0.78 RORC (0.51) ACHERORCMAPTKDM4EALDH1A1
SCHEMBL4152933 0.78 MAPT (0.59) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL19876877 0.77 MAPT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL27852681 0.77 ALDH1A1 (0.72) ACHERORCMAPTKDM4EALDH1A1
SCHEMBL17976214 0.76 SMN1; SMN2 (0.61) MAPTKDM4EKMT2A
SCHEMBL13102342 0.75 MAPT (0.70) ACHERORCMAPTKDM4EALDH1A1

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 6 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
CN-106029104-A Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety 奥斯陆大学 2016-10-12 CN 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 ACHE 758/4885RORC 4208/4885MAPT 3945/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 ACHE 758/4885RORC 4208/4885MAPT 3945/4885

“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.