SCHEMBL21017589

SCHEMBL21017589

CN(C)CCCOc1ccc2nc(-c3ccc(-c4nc5ccc(OCCCC(=O)O)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.70
ACHE P22303 4/20 0.60
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
PDE3B Q13370 4/20 0.54
PDE3A Q14432 4/20 0.54
P2RY12 Q9H244 3/20 0.54
PDE2A O00408 3/20 0.54
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL20982542 0.92 CHEK2 (0.61) CHEK2ACHEPPARGPPARAPDE3B
SCHEMBL20982619 0.90 CHEK2 (0.72) CHEK2ACHEKDM4ENPC1USP2
SCHEMBL21018380 0.89 CHEK2 (0.71) CHEK2ACHEKDM4ENPC1USP2
SCHEMBL20982527 0.88 CHEK2 (0.78) CHEK2ACHEHDAC6
SCHEMBL21018086 0.87 CHEK2 (0.64) CHEK2ACHEHDAC6HDAC3HDAC4
SCHEMBL21017590 0.87 CHEK2 (0.69) CHEK2ACHEPDE3BPDE3AP2RY12
SCHEMBL20982669 0.87 CHEK2 (0.66) CHEK2ACHEPPARGPPARAKDM4E
SCHEMBL20982566 0.86 ACHE (0.70) CHEK2ACHEKDM4ENPC1USP2
SCHEMBL23153377 0.85 ACHE (0.69) CHEK2ACHEKDM4ENPC1USP2
SCHEMBL21017844 0.85 CHEK2 (0.66) CHEK2ACHEKDM4ENPC1USP2

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 CHEK2 1163/4885ACHE 2382/4885PPARG 4023/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 CHEK2 1163/4885ACHE 2382/4885PPARG 4023/4885

“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.