SCHEMBL5524497

SCHEMBL5524497

CCc1c(C(N)=O)cccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCAT2 O15382 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
USP7 Q93009 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
JAK2 O60674 1/20 0.39
GRM2 Q14416 1/20 0.39
CDC7 O00311 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CD38 P28907 1/20 0.39
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL5478290 0.88 PARP1 (0.45) PARP1NPC1RAB9ABCAT2KEAP1
SCHEMBL19695740 0.85 MAPK8 (0.47) PARP1CES2CES1CD38MAPK8
SCHEMBL30499962 0.85 MAPK8 (0.47) PARP1CES2CES1CD38MAPK8
SCHEMBL4434798 0.84 BCAT2 (0.44) PARP1BCAT2KEAP1NFE2L2FGFR1
SCHEMBL15639284 0.83 NPC1 (0.42) PARP1NPC1RAB9ABCAT2KEAP1
SCHEMBL4065283 0.83 MYC (0.47) PARP1BCAT2KEAP1NFE2L2FGFR1
SCHEMBL4439618 0.81 BCAT2 (0.62) PARP1NPC1RAB9ABCAT2KEAP1
SCHEMBL27459283 0.80 MEN1 (0.46) PARP1BCAT2KEAP1NFE2L2CD38
SCHEMBL5524493 0.80 KEAP1 (0.47) PARP1NPC1RAB9ABCAT2KEAP1
SCHEMBL2113823 0.79 NPC1 (0.59) PARP1NPC1RAB9ABCAT2KEAP1

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-7208488-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling ELAN PHARMACEUTICALS, INC. 2005-07-28 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-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling BACE1, PSEN1, BACE2 PARP1 3209/4885NPC1 357/4885RAB9A 1351/4885

“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.