SCHEMBL20982808

SCHEMBL20982808

N#CCCCOc1ccc2nc(-c3ccc(-c4nc5ccc(OCCCC#N)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.58
▸ PDE3A Q14432 2/20 0.58
▸ P2RY12 Q9H244 2/20 0.58
▸ NPC1 O15118 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55
▸ RELA Q04206 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ PLG P00747 4/20 0.54
▸ PLAU P00749 4/20 0.54

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
SCHEMBL20982615 0.91 CHEK2 (0.62) PDE3BPDE3AP2RY12NPC1ALDH1A1
SCHEMBL21017811 0.82 CHEK2 (0.72) PDE3BPDE3AP2RY12NPC1ALDH1A1
SCHEMBL20982792 0.82 PLG (0.60) NPC1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL21017805 0.81 CHEK2 (0.67) PDE3BPDE3AP2RY12NPC1ALDH1A1
SCHEMBL21017818 0.79 NPC1 (0.55) NPC1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL20982619 0.79 CHEK2 (0.72) NPC1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL21018380 0.78 CHEK2 (0.71) NPC1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL20982566 0.78 ACHE (0.70) NPC1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL10956481 0.78 PDE3B (0.51) PDE3BPDE3AP2RY12NPC1ALDH1A1
SCHEMBL21018152 0.77 ACHE (0.81) NPC1ALDH1A1TP53HPGDSMN1; SMN2

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 PDE3B 4067/4885PDE3A 4000/4885P2RY12 4750/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 PDE3B 4067/4885PDE3A 4000/4885P2RY12 4750/4885

“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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