SCHEMBL19167944

SCHEMBL19167944

Cc1cc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.55
▸ SIRT2 Q8IXJ6 2/20 0.53
▸ SIRT1 Q96EB6 2/20 0.53
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ CCR2 P41597 1/20 0.50
▸ AURKA O14965 1/20 0.49
▸ DGAT1 O75907 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ GUSB P08236 2/20 0.47
▸ RHEB Q15382 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ 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
SCHEMBL19166950 0.99 SIRT2 (0.55) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19175932 0.90 DGAT1 (0.59) DGAT1SOAT1KCNH2POLBSMN1; SMN2
SCHEMBL19137938 0.90 NPBWR1 (0.59) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19137947 0.88 CCR2 (0.58) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19198151 0.88 SIRT2 (0.59) NPBWR1SIRT2SIRT1AURKADGAT1
SCHEMBL19137959 0.82 NPBWR1 (0.55) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19137958 0.82 DGAT1 (0.53) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19166933 0.81 RHEB (0.56) NPBWR1GUSBRHEBSMN1; SMN2ALDH1A1
SCHEMBL19137928 0.81 DGAT1 (0.52) NPBWR1SIRT2SIRT1PRKAG1PRKAA1
SCHEMBL19137965 0.81 DGAT1 (0.63) CCR2DGAT1SOAT1KCNH2RHEB

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

“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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