SCHEMBL6150323

SCHEMBL6150323

COc1ccc(Cc2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MPI P34949 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ COMT P21964 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11534430 0.85 DAO (0.33) GAA
SCHEMBL13946889 0.80 TP53 (0.41) ALDH1A1APOBEC3GSMN1; SMN2ALPLGAA
SCHEMBL8534048 0.80 GRIN1 (0.52) LTA4H
SCHEMBL9570634 0.80 PLA2G2A (0.46) LTA4HLMNAHPGDSMN1; SMN2MAPT
SCHEMBL12892212 0.79 CA2 (0.58) ALDH1A1KDM4EMPIAPOBEC3GLMNA
SCHEMBL5727055 0.78 MAPT (0.40) LTA4HLMNAHPGDSMN1; SMN2MAPT
SCHEMBL12017473 0.77 PARP1 (0.40) KDM4ESMN1; SMN2MAPT
SCHEMBL12017472 0.77 APP (0.33) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL19580445 0.77 AKT2 (0.39) —
SCHEMBL837414 0.77 ALPL (0.39) ALDH1A1LMNAHPGDIDO1MAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 — — US disclosed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 — — CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 — — EP disclosed
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-03 — — US disclosed
EP-3735242-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp&Dohme Corp. (US) 2020-11-11 — — EP disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 — — US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 — — EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
EP-1482896-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-11-23 — — EP disclosed
EP-1482895-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-04-27 — — EP disclosed
EP-1482896-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 — — EP disclosed
EP-1482895-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 — — EP disclosed
WO-2003074008-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 — — WO disclosed
WO-2003073986-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 — — WO disclosed
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 — — EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 — — EP disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 — — 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 (4 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 LTA4H 324/4885ALDH1A1 277/4885KDM4E 1739/4885
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 LTA4H 378/4885ALDH1A1 282/4885KDM4E 2100/4885
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF SLC11A2, MMP12, LCT LTA4H 596/4885ALDH1A1 161/4885KDM4E 1897/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 LTA4H 378/4885ALDH1A1 282/4885KDM4E 2100/4885

“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.

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