SCHEMBL20982515

SCHEMBL20982515

O=Cc1ccc(-c2nc3ccc(OCCCNC(=O)O)cc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.50
▸ HDAC6 Q9UBN7 7/20 0.48
▸ HDAC3 O15379 6/20 0.48
▸ HDAC4 P56524 6/20 0.48
▸ HDAC1 Q13547 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC8 Q9BY41 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC5 Q9UQL6 6/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL20982671 0.93 CHEK2 (0.56) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL21017933 0.87 BRD4 (0.47) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL20982669 0.85 CHEK2 (0.66) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL23424051 0.81 CHEK2 (0.48) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL20982466 0.80 CHEK2 (0.65) CHEK2HDAC6KDM4ENPC1USP2
SCHEMBL20982725 0.76 CHEK2 (0.68) CHEK2HDAC6HDAC3HDAC1HDAC2
SCHEMBL20982576 0.76 CHEK2 (0.55) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL21017811 0.75 CHEK2 (0.72) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL21017805 0.74 CHEK2 (0.67) CHEK2HDAC6HDAC3HDAC4HDAC1
SCHEMBL244715 0.73 SMN1; SMN2 (0.50) NPC1USP2ALDH1A1LMNAMAPT

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 3 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
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

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 1163/4885HDAC6 15/4885HDAC3 358/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885HDAC6 15/4885HDAC3 358/4885

“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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