SCHEMBL16626918

SCHEMBL16626918

COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
HSP90AB1 P08238 4/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL16626921 0.83 HSP90AB1 (0.54) ALDH1A1HSP90AB1
SCHEMBL16619825 0.81 CYP19A1 (0.59) HSP90AB1
SCHEMBL16626917 0.80 HSP90AB1 (0.51) ALDH1A1HSP90AB1SMN1; SMN2POLB
SCHEMBL16620124 0.79 HSP90AB1 (0.61) HSP90AB1
SCHEMBL18028311 0.77 ALDH1A1 (0.58) ALDH1A1HSP90AB1PKMCYP1A2CYP2C19
SCHEMBL18028296 0.77 HSP90AB1 (0.47) ALDH1A1HSP90AB1SMN1; SMN2
SCHEMBL18028297 0.74 HSP90AB1 (0.70) HSP90AB1
SCHEMBL20393659 0.73 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19HTTSMN1; SMN2
SCHEMBL5050885 0.72 RAB9A (0.44) ALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL16619998 0.69 ALDH1A1 (0.48) ALDH1A1LMNA

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 7 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
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 ALDH1A1 1313/4885HSP90AB1 1862/4885PKM 3078/4885
US-10227327-B2 Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety SLC30A6, DDO, SLC30A7 ALDH1A1 1313/4885HSP90AB1 1862/4885PKM 3078/4885

“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.