SCHEMBL19175768

SCHEMBL19175768

Fc1ccc2nc(-c3ccc(N4CCCC4)nc3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 17/20 0.64
▸ KCNH2 Q12809 9/20 0.64
▸ ADORA2A P29274 3/20 0.64
▸ SOAT1 P35610 2/20 0.57
▸ CYP11B1 P15538 1/20 0.54
▸ TCF4 P15884 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51

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
SCHEMBL19175769 0.86 DGAT1 (0.77) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL19175760 0.83 DGAT1 (0.52) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14128465 0.79 DGAT1 (0.80) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14128411 0.79 DGAT1 (0.80) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14128551 0.78 CYP11B1 (0.65) DGAT1CYP11B1TCF4CTNNB1
SCHEMBL31195875 0.78 MGLL (0.48) DGAT1KCNH2ADORA2A
SCHEMBL10146483 0.78 DGAT1 (0.81) DGAT1KCNH2ADORA2A
SCHEMBL14235529 0.77 DGAT1 (0.66) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14127762 0.77 DGAT1 (0.84) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14128558 0.77 DGAT1 (0.84) DGAT1KCNH2ADORA2ASOAT1

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 DGAT1 2252/4885KCNH2 4391/4885ADORA2A 2000/4885

“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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