SCHEMBL20982498

SCHEMBL20982498

CN(C)CCCOc1ccc2[nH]c(-c3ccc(-c4nc5cc(OCCCO)ccc5[nH]4)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 4/20 0.60
▸ ACHE P22303 7/20 0.59
▸ ATP4A P20648 1/20 0.50
▸ ATP4B P51164 1/20 0.50
▸ ALOX5 P09917 1/20 0.47
▸ PDE2A O00408 2/20 0.47
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ P2RY12 Q9H244 2/20 0.47
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ PLG P00747 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL21017655 0.94 ACHE (0.65) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL21017590 0.91 CHEK2 (0.69) CHEK2ACHEATP4AATP4BPDE2A
SCHEMBL20982723 0.90 CHEK2 (0.61) CHEK2ACHEPDE2APDE3BPDE3A
SCHEMBL20982555 0.89 ACHE (0.59) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL21017825 0.88 ACHE (0.67) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL21017795 0.87 CHEK2 (0.67) CHEK2ACHEATP4AATP4BPDE2A
SCHEMBL20982542 0.87 CHEK2 (0.61) CHEK2ACHEATP4AATP4BPDE2A
SCHEMBL21017583 0.85 ACHE (0.64) CHEK2ACHEATP4AATP4BPLG
SCHEMBL21018408 0.85 CHEK2 (0.61) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL20982619 0.84 CHEK2 (0.72) CHEK2ACHEATP4AATP4BPLG

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 2382/4885ATP4A 1772/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885ATP4A 1772/4885

“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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