SCHEMBL4811295

SCHEMBL4811295

CCC(CC)NC(=O)c1ccc(-c2scc(Br)c2CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
BACE1 P56817 1/20 0.45
HDAC4 P56524 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 7/20 0.38
TAS1R1 Q7RTX1 7/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKACA P17612 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKX P51817 1/20 0.36

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
SCHEMBL4811510 0.82 BACE1 (0.66) HTTBACE1HDAC4SMN1; SMN2TAS1R3
SCHEMBL4815057 0.74 BACE1 (0.48) HTTBACE1SMN1; SMN2RAB9ANPC1
SCHEMBL4811023 0.71 KDM4E (0.38) HTTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4811986 0.69 PTGDR2 (0.45) BACE1RAB9ANPC1
SCHEMBL15146792 0.68 HTT (0.68) HTTSMN1; SMN2TAS1R3TAS1R1RAB9A
SCHEMBL4804297 0.68 PREP (0.41) BACE1RAB9AALDH1A1HPGD
SCHEMBL21078060 0.67 HTT (0.71) HTTHDAC4SMN1; SMN2TAS1R3TAS1R1
SCHEMBL18879866 0.67 HTT (0.71) HTTHDAC4SMN1; SMN2TAS1R3TAS1R1
SCHEMBL27912607 0.65 HTT (0.69) HTTHDAC4SMN1; SMN2TAS1R3TAS1R1
SCHEMBL966937 0.65 HTT (0.58) HTTHDAC4SMN1; SMN2TAS1R3TAS1R1

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 HTT 318/4885BACE1 1/4885HDAC4 445/4885

“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.