SCHEMBL21018530

SCHEMBL21018530

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.55
▸ CHEK2 O96017 2/20 0.53
▸ ATP4A P20648 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ ALOX5 P09917 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ TLR7 Q9NYK1 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL21017926 0.91 ALDH1A1 (0.49) ACHECHEK2ATP4AATP4BALDH1A1
SCHEMBL21017655 0.90 ACHE (0.65) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL20982633 0.89 CHEK2 (0.61) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL21017226 0.85 ALDH1A1 (0.48) ACHECHEK2ATP4AATP4BALDH1A1
SCHEMBL20982555 0.85 ACHE (0.59) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL20982498 0.84 CHEK2 (0.60) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL21017825 0.84 ACHE (0.67) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL21017657 0.84 ACHE (0.50) ACHECHEK2ALDH1A1PDGFRAHRH4
SCHEMBL21017228 0.81 ACHE (0.66) ACHECHEK2ATP4AATP4BALOX5
SCHEMBL20982619 0.81 CHEK2 (0.72) ACHECHEK2ATP4AATP4BALDH1A1

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

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