SCHEMBL20982583

SCHEMBL20982583

N#Cc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(C#N)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.70
▸ DGAT1 O75907 1/20 0.58
▸ SOAT1 P35610 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PKN1 Q16512 1/20 0.57
▸ PKN2 Q16513 1/20 0.57
▸ CHEK2 O96017 2/20 0.53
▸ PARP1 P09874 1/20 0.48
▸ PRSS12 P56730 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL9032508 0.88 RHEB (0.72) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL1662876 0.88 RHEB (0.63) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL15245075 0.86 RHEB (0.70) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL21018203 0.85 CHEK2 (0.67) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL8409891 0.85 CHEK2 (0.70) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL6061802 0.85 RHEB (0.57) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL20982453 0.84 RHEB (0.52) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL19994470 0.84 RHEB (0.59) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL8412123 0.84 RHEB (0.59) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL3333407 0.84 RHEB (0.68) RHEBDGAT1SOAT1KCNH2PKN1

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 4 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
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 RHEB 1720/4885DGAT1 2519/4885SOAT1 2968/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 RHEB 1720/4885DGAT1 2519/4885SOAT1 2968/4885

“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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