SCHEMBL21017232

SCHEMBL21017232

CN(C)CCOc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(OCCN(C)C)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.77
▸ CHEK2 O96017 1/20 0.56
▸ BRAF P15056 7/20 0.53
▸ ATP4A P20648 1/20 0.52
▸ ATP4B P51164 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL21017825 0.94 ACHE (0.67) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21018444 0.93 ACHE (0.67) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017228 0.92 ACHE (0.66) ACHECHEK2ATP4AATP4BCHRNB4
SCHEMBL21018108 0.92 ACHE (0.69) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017614 0.91 ACHE (0.65) ACHECHEK2ATP4AATP4BHDAC6
SCHEMBL21018408 0.88 CHEK2 (0.61) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017221 0.88 ACHE (0.63) ACHECHEK2ADORA2AADORA1HDAC6
SCHEMBL21017841 0.88 ACHE (0.60) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017830 0.87 ACHE (0.73) ACHECHEK2ATP4AATP4BADORA3
SCHEMBL21017655 0.87 ACHE (0.65) ACHECHEK2ATP4AATP4BCHRNB4

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 2 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-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 ACHE 2382/4885CHEK2 1163/4885BRAF 4381/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 ACHE 2382/4885CHEK2 1163/4885BRAF 4381/4885

“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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