SCHEMBL16626917

SCHEMBL16626917

COc1cc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 2/20 0.45
CYP19A1 P11511 1/20 0.45
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 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
SCHEMBL18028296 0.94 HSP90AB1 (0.47) HSP90AB1KDM4EALDH1A1SMN1; SMN2KDM1A
SCHEMBL16626921 0.84 HSP90AB1 (0.54) HSP90AB1ALDH1A1CYP19A1
SCHEMBL16620124 0.84 HSP90AB1 (0.61) HSP90AB1CYP19A1
SCHEMBL16626927 0.83 RXRA (0.47) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL18028297 0.81 HSP90AB1 (0.70) HSP90AB1CYP19A1
SCHEMBL16626918 0.80 ALDH1A1 (0.49) HSP90AB1ALDH1A1SMN1; SMN2POLB
SCHEMBL6712868 0.78 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2POLBTP53
SCHEMBL16619998 0.75 ALDH1A1 (0.48) ALDH1A1KDM1A
SCHEMBL16626941 0.72 P2RX7 (0.56) KDM1A
SCHEMBL230368 0.72 HSP90AB1 (0.82) HSP90AB1CYP19A1

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 HSP90AB1 1862/4885KDM4E 2892/4885ALDH1A1 1313/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 HSP90AB1 1862/4885KDM4E 2892/4885ALDH1A1 1313/4885

“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.