SCHEMBL19137947

SCHEMBL19137947

Clc1cc2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.58
▸ NPBWR1 P48145 1/20 0.58
▸ RHEB Q15382 3/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54
▸ AURKA O14965 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ PRSS12 P56730 1/20 0.49
▸ CHEK2 O96017 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TOP1 P11387 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
SCHEMBL19137938 0.99 NPBWR1 (0.59) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL19166950 0.90 SIRT2 (0.55) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL19167944 0.88 NPBWR1 (0.55) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL19137959 0.88 NPBWR1 (0.55) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL19137933 0.88 RHEB (0.58) CCR2NPBWR1RHEBCHEK2SMN1; SMN2
SCHEMBL19137965 0.87 DGAT1 (0.63) CCR2RHEBSMN1; SMN2MAPTKMT2A
SCHEMBL19137928 0.87 DGAT1 (0.52) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL19137958 0.85 DGAT1 (0.53) CCR2NPBWR1RHEBSIRT2SIRT1
SCHEMBL24075401 0.84 NPBWR1 (0.58) NPBWR1SIRT2SIRT1AURKACHEK2
SCHEMBL19198151 0.84 SIRT2 (0.59) NPBWR1SIRT2SIRT1AURKACHEK2

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 CCR2 4388/4885NPBWR1 3481/4885RHEB 1379/4885

“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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