SCHEMBL19137928

SCHEMBL19137928

FC(F)(F)c1cc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.52
▸ SOAT1 P35610 2/20 0.52
▸ KCNH2 Q12809 2/20 0.52
▸ NPBWR1 P48145 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ CCR2 P41597 1/20 0.47
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CHEK2 O96017 8/20 0.44
▸ RHEB Q15382 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL19137958 0.99 DGAT1 (0.53) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19137962 0.89 DGAT1 (0.67) DGAT1SOAT1KCNH2CHEK2LMNA
SCHEMBL19175815 0.87 DGAT1 (0.53) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19137947 0.87 CCR2 (0.58) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19175766 0.86 DGAT1 (0.54) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19137938 0.85 NPBWR1 (0.59) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19166950 0.82 SIRT2 (0.55) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19167944 0.81 NPBWR1 (0.55) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19137959 0.81 NPBWR1 (0.55) DGAT1SOAT1KCNH2NPBWR1SIRT2
SCHEMBL19137929 0.80 DGAT1 (0.64) DGAT1SOAT1KCNH2NPBWR1SIRT2

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-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof SOUTHERN RESEARCH INSTITUTE 2017-07-27 — — US disclosed
US-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof SOUTHERN RESEARCH INSTITUTE 2017-07-27 — — 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 (1 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-20170210741-A1 Benzimidazole Compounds, Use As Inhibitors of WNT Signaling Pathway in Cancers, and Methods for Preparation Thereof WNT1, WNT3, CTNNB1 DGAT1 2252/4885SOAT1 2222/4885KCNH2 4391/4885

“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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