SCHEMBL4815057

SCHEMBL4815057

O=C(O)Cc1c(Br)csc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.48
HTT P42858 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
ABCC4 O15439 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
AKR1B1 P15121 2/20 0.39
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL4811986 0.87 PTGDR2 (0.45) BACE1GAANPC1RAB9APTGDR2
SCHEMBL4619778 0.83 BACE1 (0.48) BACE1HTTGAAKMT2ALMNA
SCHEMBL4813819 0.83 BACE1 (0.67) BACE1HTTGAAKMT2ALMNA
SCHEMBL10712470 0.81 BACE1 (0.47) BACE1HTTGAAKMT2ALMNA
SCHEMBL4811379 0.80 AKR1B1 (0.49) BACE1PTGS1ALDH1A1AKR1B1SMN1; SMN2
SCHEMBL4813807 0.77 BACE1 (0.54) BACE1KMT2ALMNAMAPK1MAPT
SCHEMBL4804297 0.75 PREP (0.41) BACE1GAAPTGS1MAPTALDH1A1
SCHEMBL4811295 0.74 HTT (0.47) BACE1HTTKMT2ALMNAMAPK1
SCHEMBL4811503 0.74 TSHR (0.42) TSHRAKR1B1HSD17B10
SCHEMBL4811686 0.73 BACE1 (0.55) BACE1GAAPTGDR2

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 1/4885HTT 318/4885GAA 15/4885

“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.