SCHEMBL30237082

SCHEMBL30237082

O=C(Oc1cccnn1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 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
SCHEMBL31589528 0.86 ALDH1A1 (0.50) RXFP1POLBALDH1A1NPSR1GAA
SCHEMBL19717800 0.81 SCN7A (0.47) SIGMAR1RXFP1POLBALDH1A1NPSR1
SCHEMBL23852693 0.77 BPTF (0.46) SIGMAR1RXFP1POLBALDH1A1SMN1; SMN2
SCHEMBL30595880 0.75 REN (0.44) SIGMAR1POLBGAA
SCHEMBL23851488 0.75 ALDH1A1 (0.48) SIGMAR1RXFP1POLBALDH1A1GAA
SCHEMBL27973414 0.75 SMN1; SMN2 (0.41) SIGMAR1RXFP1POLBALDH1A1NPSR1
SCHEMBL12271108 0.73 MKNK1 (0.52) MKNK1MKNK2POLBALDH1A1SMN1; SMN2
SCHEMBL29988703 0.73 MKNK1 (0.52) MKNK1MKNK2POLBALDH1A1SMN1; SMN2
SCHEMBL19617917 0.73 GPR119 (0.38) SIGMAR1MKNK1MKNK2RXFP1POLB
SCHEMBL31732979 0.73 GPR119 (0.38) SIGMAR1MKNK1MKNK2RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 — — US disclosed
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 — — CN disclosed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-117836299-A Novel bifunctional heterocyclic compounds with Bruton tyrosine kinase decomposition via ubiquitin proteasome pathway and uses thereof 韩国化学研究院 2024-04-05 — — CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — 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 (1 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-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 SIGMAR1 484/4885MKNK1 4801/4885MKNK2 4735/4885

“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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