SCHEMBL20982633

SCHEMBL20982633

CN(C)CCCOc1ccc2nc(-c3ccc(-c4nc5ccc(SCCCN(C)C)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.61
▸ ACHE P22303 7/20 0.60
▸ LMNA P02545 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ATP4A P20648 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL20982619 0.90 CHEK2 (0.72) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL21018530 0.89 ACHE (0.55) CHEK2ACHEALDH1A1ATP4AATP4B
SCHEMBL21018380 0.89 CHEK2 (0.71) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL21017796 0.87 ACHE (0.62) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL20982566 0.86 ACHE (0.70) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL20982513 0.85 CHEK2 (0.67) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL23153377 0.85 ACHE (0.69) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL21018057 0.85 ACHE (0.69) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL21017844 0.85 CHEK2 (0.66) CHEK2ACHELMNANPC1ALDH1A1
SCHEMBL20982730 0.84 CHEK2 (0.69) CHEK2ACHELMNANPC1ALDH1A1

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-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 — — US disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 — — US disclosed
EP-3710442-A2 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME The Scripps Research Institute (US) 2020-09-23 — — EP disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 — — US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 — — 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 (2 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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885LMNA 963/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885LMNA 963/4885

“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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