SCHEMBL1647019

SCHEMBL1647019

CCOC(=O)c1cnn(-c2ccc3[nH]cc(C(N)=O)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRB1 P18505 2/20 0.43
GABRA3 P34903 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PARP1 P09874 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL1647727 0.84 ALDH1A1 (0.42) ALDH1A1MEN1TP53HPGDKMT2A
SCHEMBL1646345 0.83 SCN9A (0.45)
SCHEMBL1647788 0.82 ALDH1A1 (0.41) ALDH1A1MEN1TP53HPGDKMT2A
SCHEMBL1647022 0.81 HPGD (0.40) ALDH1A1MEN1TP53HPGDKMT2A
SCHEMBL1647023 0.81 HPGD (0.40) ALDH1A1MEN1TP53HPGDKMT2A
SCHEMBL1647063 0.78 MAOA (0.50) ALDH1A1HPGDTSHRSMN1; SMN2JAK2
SCHEMBL29992974 0.75 JAK2 (0.48) MEN1KMT2AL3MBTL1SMN1; SMN2JAK2
SCHEMBL29992523 0.75 SCN9A (0.42)
SCHEMBL27167521 0.75 SCN9A (0.42)
SCHEMBL16828752 0.74 NPC1 (0.41) ALDH1A1HPGDTSHRSMN1; SMN2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352001-A1 METHOD FOR PREPARING INTERMEDIATE FOR SYNTHESIS OF XANTHINE OXIDASE INHIBITOR LG CHEM, LTD. (KR) 2024-10-24 US disclosed
US-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR LG CHEM, LTD. (KR) 2024-07-18 US disclosed
US-20240000750-A1 METHOD FOR PREPARING CRYSTALLINE PARTICLES OF 1-(3-CYANO-1-ISOPROPYL-INDOLE-5-YL)PYRAZOLE-4-CARBOXYLIC ACID, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME LG CHEM, LTD. (KR) 2024-01-04 US disclosed
EP-4218755-A1 METHOD FOR PREPARING CRYSTALLINE PARTICLES OF 1-(3-CYANO-1-ISOPROPYL-INDOLE-5-YL)PYRAZOLE-4-CARBOXYLIC ACID, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Lg Chem, Ltd. (KR) 2023-08-02 EP disclosed
WO-2022231262-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR 주식회사 엘지화학 2022-11-03 WO disclosed
WO-2022231263-A1 METHOD FOR PREPARING INTERMEDIATE FOR SYNTHESIS OF XANTHINE OXIDASE INHIBITOR 주식회사 엘지화학 2022-11-03 WO disclosed
WO-2022098057-A1 METHOD FOR PREPARING CRYSTALLINE PARTICLES OF 1-(3-CYANO-1-ISOPROPYL-INDOLE-5-YL)PYRAZOLE-4-CARBOXYLIC ACID, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2022-05-12 WO disclosed
EP-2467378-B1 COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD (KR) 2016-07-27 EP disclosed
US-8729273-B2 Compounds effective as xanthine oxidase inhibitors, method for preparing the same, and pharmaceutical composition containing the same LG LIFE SCIENCES LTD. (KR) 2014-05-20 US disclosed
WO-2012138147-A2 1-(3-CYANO-1-ISOPROPYL-INDOL-5-YL)PYRAZOLE-4-CARBOXYLIC ACID CRYSTALLINE FORM AND THE PRODUCING METHOD THEREOF LG LIFE SCIENCES LTD. (KR) 2012-10-11 WO disclosed
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG CHEM, LTD. (KR) 2012-07-19 US disclosed
EP-2467378-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG Life Sciences Ltd (KR) 2012-06-27 EP disclosed
WO-2011043568-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2011-04-14 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-20240000750-A1 METHOD FOR PREPARING CRYSTALLINE PARTICLES OF 1-(3-CYANO-1-ISOPROPYL-INDOLE-5-YL)PYRAZOLE-4-CARBOXYLIC ACID, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME IDO1, MAST1, TPH1 ALDH1A1 1838/4885MEN1 1337/4885TP53 1977/4885
US-20240239768-A1 METHOD FOR PREPARING XANTHINE OXIDASE INHIBITOR XDH, AOX1, PNPO ALDH1A1 118/4885MEN1 3537/4885TP53 4883/4885
US-20240352001-A1 METHOD FOR PREPARING INTERMEDIATE FOR SYNTHESIS OF XANTHINE OXIDASE INHIBITOR XDH, AOX1, CYP4F3 ALDH1A1 193/4885MEN1 3412/4885TP53 4875/4885
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME XDH, PNPO, AOX1 ALDH1A1 459/4885MEN1 4320/4885TP53 4873/4885

“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.