SCHEMBL4812852

SCHEMBL4812852

NC(N)=NC(=O)Cc1c(-c2ccccc2)csc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 1.00
CTSD P07339 1/20 0.47
ADRA2A P08913 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MAOA P21397 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL4814785 0.91 BACE1 (0.82) BACE1
SCHEMBL5915604 0.86 BACE1 (1.00) BACE1
SCHEMBL4807197 0.86 BACE1 (1.00) BACE1
SCHEMBL4813819 0.81 BACE1 (0.67) BACE1MEN1LMNAMAPK1KMT2A
SCHEMBL4809434 0.79 BACE1 (0.84) BACE1CTSDADRA2AMEN1LMNA
SCHEMBL5915814 0.76 BACE1 (0.61) BACE1MEN1LMNAMAPK1KMT2A
SCHEMBL4809661 0.74 BACE1 (1.00) BACE1CTSDADRA2AMEN1LMNA
SCHEMBL4812986 0.73 BACE1 (0.93) BACE1CTSDADRA2AMEN1LMNA
SCHEMBL4805928 0.73 BACE1 (1.00) BACE1CTSDADRA2AMEN1LMNA
SCHEMBL4804685 0.73 BACE1 (1.00) BACE1CTSD

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 4 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 claimed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 US claimed
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US 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 1/4885CTSD 146/4885ADRA2A 1677/4885

“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.