SCHEMBL829306

SCHEMBL829306

O=C(O)c1n[nH]c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
HCAR2 Q8TDS4 10/20 0.42
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.39
JAK2 O60674 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
LMNA P02545 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
Hydrochloric Acid SCHEMBL11324175 0.98 CYP2D6 (0.42) CYP2D6MAPTHCAR2LDHALDHB
SCHEMBL11633136 0.82 ALDH1A1 (0.50) MAPTHCAR2LDHALDHBGAA
SCHEMBL11324161 0.79 GAA (0.36) CYP2D6MAPTHCAR2GAAKMT2A
SCHEMBL11324784 0.79 GAA (0.36) CYP2D6MAPTGAAKMT2ATSHR
SCHEMBL11633637 0.70 POLB (0.56) MAPTKMT2ALMNAALDH1A1MEN1
SCHEMBL3114000 0.70
Water SCHEMBL15331255 0.68 LMNA (0.58) HCAR2GAAKMT2AJAK2THRB
SCHEMBL15859525 0.68 HCAR2 (0.55) HCAR2LDHALDHBKMT2ATSHR
SCHEMBL17222521 0.68 ALDH1A1 (0.33) CYP2D6MAPTGAAKMT2ALMNA
SCHEMBL15564067 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485082-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF Xenoport, Inc. (US) 2004-12-15 EP claimed
WO-2003077902-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2003-09-25 WO claimed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 US claimed
US-5530129-A Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US claimed
EP-0695743-A1 Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AG (DE) 1996-02-07 EP claimed
JP-8059634-A None JP disclosed
US-12533354-B2 Triaryl compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2026-01-27 US disclosed
WO-2025137568-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN disclosed
US-20240109863-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KPC PHARMACEUTICALS, INC (CN) 2024-04-04 US disclosed
EP-4273139-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2023-11-08 EP disclosed
CN-116802176-A Oxindoles and methods of use thereof 阿利戈斯治疗公司 2023-09-22 CN disclosed
WO-2003077902-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2003-09-25 WO disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 US disclosed
US-5530129-A Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5530129-A Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
JP-H0859634-A PREPARATION OF 1,2,4-TRIAZINE-3,5-DIONES BAYER AG 1996-03-05 JP disclosed
EP-0695743-A1 Process for the preparation of 1,2,4-triazine-3,5-diones BAYER AG (DE) 1996-02-07 EP disclosed
US-4198407-A Substituted 2-phenyl-1,2,4-triazine-3,5(2H,4H)-diones, and coccidiostatic agents containing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4081441-A PENICILLANIC ACIDS BRISTOL-MYERS COMPANY (US) 1978-03-28 US 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 (3 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-20240109863-A1 2-PYRIDONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF PTH1R, MC2R, TSHR CYP2D6 335/4885MAPT 4410/4885HCAR2 383/4885
US-12533354-B2 Triaryl compounds for treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 CYP2D6 151/4885MAPT 4110/4885HCAR2 132/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 CYP2D6 25/4885MAPT 4481/4885HCAR2 673/4885

“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.