SCHEMBL1637563

SCHEMBL1637563

O=C(N/N=C(/CC(=O)N1CCOCC1)C(F)(F)F)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MGLL Q99685 1/20 0.44
GAA P10253 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
KDM1A O60341 2/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1637566 1.00 NPC1 (0.50) NPC1RAB9AMGLLGAAMAPK1
SCHEMBL13971505 0.90 NPC1 (0.44) NPC1RAB9AMGLLGAAMAPK1
SCHEMBL1638596 0.87 GAA (0.44) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL1638594 0.87 GAA (0.44) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL1638809 0.83 KDM4E (0.56) GAAMAPK1MAPTKMT2AKDM4E
SCHEMBL1638810 0.83 KDM4E (0.56) GAAMAPK1MAPTKMT2AKDM4E
SCHEMBL1638328 0.75 GAA (0.51) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL1638330 0.75 GAA (0.51) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL1638546 0.74 KDM4E (0.53) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL12726682 0.74 KDM4E (0.53) NPC1RAB9AGAAMAPK1MAPT

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 2 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 disclosed
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

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 NPC1 732/4885RAB9A 2696/4885MGLL 2001/4885

“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.