SCHEMBL21017657

SCHEMBL21017657

CN(C)CCSc1ccc2[nH]c(-c3ccc(-c4nc5cc(SCCN(C)C)ccc5[nH]4)cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.50
▸ HRH4 Q9H3N8 1/20 0.46
▸ HTR7 P34969 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ PRKX P51817 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
SCHEMBL21017595 0.93 ACHE (0.49) ACHEHRH4HTR7HTR1ACHEK2
SCHEMBL21017926 0.92 ALDH1A1 (0.49) ACHEHRH4CHEK2KDM4ENPC1
SCHEMBL21017226 0.86 ALDH1A1 (0.48) ACHEHRH4CHEK2KDM4ENPC1
SCHEMBL21018530 0.84 ACHE (0.55) ACHEHRH4CHEK2PDGFRAALDH1A1
SCHEMBL21017847 0.80 KDM4E (0.45) HRH4CHEK2KDM4ENPC1POLB
SCHEMBL21017655 0.75 ACHE (0.65) ACHECHEK2KDM4ENPC1RAB9A
SCHEMBL21017232 0.75 ACHE (0.77) ACHECHEK2
SCHEMBL21017825 0.74 ACHE (0.67) ACHECHEK2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL21017858 0.73 MPL (0.47) ACHECHEK2KDM4ENPC1POLB
SCHEMBL21017252 0.72 KDM4E (0.54) ACHECHEK2KDM4ENPC1POLB

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 2382/4885HRH4 536/4885HTR7 2226/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 ACHE 2382/4885HRH4 536/4885HTR7 2226/4885

“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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