SCHEMBL1638474

SCHEMBL1638474

COc1c[c]c(O)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
MAPK1 P28482 2/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
TP53 P04637 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALOX12 P18054 2/20 0.32
TPMT P51580 1/20 0.32

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
SCHEMBL16056542 0.80 CYP3A4 (0.48) CYP3A4PTGS2ALDH1A1CA2CA1
SCHEMBL2164186 0.78 CA12 (0.41) CYP3A4ALDH1A1CA2CA1SMN1; SMN2
SCHEMBL28565488 0.77 CYP3A4 (0.35) CYP3A4ALDH1A1CA2CA1RAB9A
SCHEMBL27394979 0.74 ALDH1A1 (0.36) ALDH1A1CA2CA1CA4CA12
SCHEMBL6912657 0.74 CA2 (0.57) CYP3A4PTGS2ALDH1A1CA2CA1
SCHEMBL29003926 0.73
SCHEMBL1639523 0.72
SCHEMBL838581 0.70
SCHEMBL6950427 0.70 NPC1 (0.45) CYP3A4ALDH1A1CA2CA1RAB9A
SCHEMBL3393076 0.70 CA12 (0.41) CYP3A4PTGS2ALOX5ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP claimed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP disclosed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO 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-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 CYP3A4 3878/4885PTGS2 2279/4885ALOX5 1893/4885

“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.