SCHEMBL20982576

SCHEMBL20982576

O=Cc1ccc(-c2nc3cc(OCCCO)ccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.55
▸ PDE2A O00408 2/20 0.47
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ P2RY12 Q9H244 2/20 0.47
▸ HDAC3 O15379 9/20 0.46
▸ HDAC4 P56524 9/20 0.46
▸ HDAC1 Q13547 9/20 0.46
▸ HDAC7 Q8WUI4 9/20 0.46
▸ HDAC2 Q92769 9/20 0.46
▸ HDAC10 Q969S8 9/20 0.46
▸ HDAC11 Q96DB2 9/20 0.46
▸ HDAC8 Q9BY41 9/20 0.46
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC9 Q9UKV0 9/20 0.46
▸ HDAC5 Q9UQL6 9/20 0.46
▸ PLG P00747 4/20 0.44
▸ PLAU P00749 4/20 0.44
▸ DHODH Q02127 1/20 0.43

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
SCHEMBL20982723 0.90 CHEK2 (0.61) CHEK2PDE2APDE3BPDE3AP2RY12
SCHEMBL20982736 0.85 CHEK2 (0.57) CHEK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20982498 0.81 CHEK2 (0.60) CHEK2PDE2APDE3BPDE3AP2RY12
SCHEMBL21017811 0.80 CHEK2 (0.72) CHEK2PDE2APDE3BPDE3AP2RY12
SCHEMBL14601532 0.79 PDE3B (0.52) CHEK2PDE2APDE3BPDE3AP2RY12
SCHEMBL1552348 0.79 CHEK2 (0.67) CHEK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1552663 0.78 CHEK2 (0.83) CHEK2PLGPLAU
SCHEMBL20982466 0.76 CHEK2 (0.65) CHEK2HDAC6PLGPLAU
SCHEMBL21017805 0.76 CHEK2 (0.67) CHEK2PDE2APDE3BPDE3AP2RY12
SCHEMBL20982515 0.76 CHEK2 (0.50) CHEK2HDAC3HDAC4HDAC1HDAC7

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 1163/4885PDE2A 3544/4885PDE3B 4067/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885PDE2A 3544/4885PDE3B 4067/4885

“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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