SCHEMBL4810047

SCHEMBL4810047

CCC(CC)NC(=O)c1ccc(-c2scc(-c3ccccc3Cl)c2CC(=O)NC(=N)n2cccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.62
DGAT2 Q96PD7 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.34
NAMPT P43490 1/20 0.33
HDAC4 P56524 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HPGD P15428 1/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL4812384 0.83 BACE1 (0.61) BACE1
SCHEMBL4811510 0.80 BACE1 (0.66) BACE1DGAT2HTTCNR1NAMPT
SCHEMBL4807276 0.80 BACE1 (0.72) BACE1DGAT2HTTCNR1HDAC4
SCHEMBL4807670 0.69 BACE1 (0.73) BACE1CNR1
SCHEMBL4810233 0.69 BACE1 (0.75) BACE1CNR1HPGD
SCHEMBL5804999 0.68 BACE1 (0.59) BACE1
SCHEMBL5803571 0.66 BACE1 (0.73) BACE1
SCHEMBL5915850 0.65 BACE1 (0.58) BACE1
SCHEMBL4812366 0.65 BACE1 (0.73) BACE1
SCHEMBL4805139 0.65 BACE1 (0.73) BACE1HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
WO-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 BACE1 1/4885DGAT2 840/4885HTT 318/4885

“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.