SCHEMBL21296959

SCHEMBL21296959

O=C(O)c1nn[nH]c1Oc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.46
HAO1 Q9UJM8 7/20 0.37
ALDH1A1 P00352 2/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CHEK2 O96017 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL21312458 0.96 MCL1 (0.43) MCL1HAO1ALDH1A1SMN1; SMN2LDHA
SCHEMBL21296854 0.88 HAO1 (0.44) MCL1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL21296847 0.86 PRKAG1 (0.51) MCL1HAO1ALDH1A1PRKAG1PRKAA1
SCHEMBL21296963 0.86 HAO1 (0.49) HAO1CHEK2
SCHEMBL23320006 0.86 HAO1 (0.46) HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL23319995 0.86 HAO1 (0.46) HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL21296862 0.86 HAO1 (0.49) MCL1HAO1CHEK2
SCHEMBL21296970 0.86 ALPL (0.42) HAO1PRKAG1PRKAA1PRKAB1HPGD
SCHEMBL22795582 0.84 DHODH (0.43) HAO1ALDH1A1PRKAG1PRKAA1PRKAB1
SCHEMBL24154487 0.84 HAO1 (0.38) MCL1HAO1PRKAG1PRKAA1PRKAB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143491-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS PHOENIX TISSUE REPAIR, INC. 2023-05-11 US disclosed
US-20230143491-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS PHOENIX TISSUE REPAIR, INC. 2023-05-11 US disclosed
US-20230143491-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS PHOENIX TISSUE REPAIR, INC. 2023-05-11 US disclosed
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20210403439-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS VENTHERA, INC. 2021-12-30 US disclosed
EP-3817816-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS Orfan Biotech Inc. (US) 2021-05-12 EP disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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-20230143491-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS XDH, DUOX1, PNPO MCL1 2254/4885HAO1 6/4885ALDH1A1 262/4885
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX MCL1 3573/4885HAO1 14/4885ALDH1A1 543/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX MCL1 3573/4885HAO1 14/4885ALDH1A1 543/4885
US-20210403439-A1 TRIAZOLE GLYCOLATE OXIDASE INHIBITORS XDH, DUOX1, PNPO MCL1 2254/4885HAO1 6/4885ALDH1A1 262/4885

“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.