SCHEMBL19166950

SCHEMBL19166950

Cc1cc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.55
▸ SIRT1 Q96EB6 2/20 0.55
▸ NPBWR1 P48145 1/20 0.54
▸ CCR2 P41597 1/20 0.52
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PRKAB1 Q9Y478 1/20 0.51
▸ AURKA O14965 1/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ GUSB P08236 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RHEB Q15382 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TOP1 P11387 2/20 0.46
▸ TOP2A P11388 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL19167944 0.99 NPBWR1 (0.55) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19137947 0.90 CCR2 (0.58) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19198151 0.90 SIRT2 (0.59) SIRT2SIRT1NPBWR1AURKADGAT1
SCHEMBL19175932 0.89 DGAT1 (0.59) DGAT1SOAT1KCNH2POLBSMN1; SMN2
SCHEMBL19137938 0.89 NPBWR1 (0.59) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19137928 0.82 DGAT1 (0.52) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19137959 0.81 NPBWR1 (0.55) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19175989 0.81 SIRT2 (0.55) SIRT2SIRT1NPBWR1AURKADGAT1
SCHEMBL19137958 0.81 DGAT1 (0.53) SIRT2SIRT1NPBWR1CCR2PRKAG1
SCHEMBL19166933 0.80 RHEB (0.56) NPBWR1GUSBRHEBSMN1; SMN2ALDH1A1

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 1 patent. 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

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 SIRT2 2195/4885SIRT1 1958/4885NPBWR1 3481/4885

“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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