SCHEMBL21853414

SCHEMBL21853414

CN(C)C(=O)c1n[nH]c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ ALPL P05186 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30

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
SCHEMBL28195767 0.70 — —
Water SCHEMBL15331255 0.70 LMNA (0.58) GLAGAALMNATSHRSMYD3
SCHEMBL12194379 0.70 TSHR (0.41) GLAGAALMNATSHRSMYD3
SCHEMBL14892918 0.68 — —
SCHEMBL14892917 0.65 — —
SCHEMBL9608843 0.65 MAP4K1 (0.33) MAP4K1
SCHEMBL9212917 0.64 F2 (0.32) —
SCHEMBL21632736 0.64 L3MBTL1 (0.42) GAALMNATSHRSMYD3ALPL
SCHEMBL21095492 0.64 MAP4K1 (0.36) ALPLMAP4K1
SCHEMBL11155938 0.63 MAP4K1 (0.35) MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 — — CN claimed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 — — CN claimed
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 — — US claimed
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-12-03 — — US claimed
US-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-08-01 — — US disclosed
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 — — CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 — — CN disclosed
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2022-05-05 — — US disclosed
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — 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 (5 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-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD NCOA1 3667/4885NCOA3 3870/4885GLA 3094/4885
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS NCOA1 3570/4885NCOA3 3787/4885GLA 3057/4885
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS NCOA1 3570/4885NCOA3 3787/4885GLA 3057/4885
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS NCOA1 3570/4885NCOA3 3787/4885GLA 3057/4885
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD NCOA1 3667/4885NCOA3 3870/4885GLA 3094/4885

“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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