SCHEMBL20982736

SCHEMBL20982736

CN(C)CCCOc1ccc2[nH]c(-c3ccc(C=O)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.57
▸ ACHE P22303 7/20 0.56
▸ ATP4A P20648 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ ALOX5 P09917 1/20 0.45
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ TLR7 Q9NYK1 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL20982466 0.91 CHEK2 (0.65) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL21017655 0.91 ACHE (0.65) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL20982555 0.86 ACHE (0.59) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL20982576 0.85 CHEK2 (0.55) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL20982498 0.85 CHEK2 (0.60) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL21017825 0.85 ACHE (0.67) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL20982542 0.84 CHEK2 (0.61) CHEK2ACHEATP4AATP4BPDGFRB
SCHEMBL21017583 0.82 ACHE (0.64) CHEK2ACHEATP4AATP4BHDAC6
SCHEMBL21017228 0.82 ACHE (0.66) CHEK2ACHEATP4AATP4BALOX5
SCHEMBL20982619 0.81 CHEK2 (0.72) CHEK2ACHEATP4AATP4B

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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