SCHEMBL4359670

SCHEMBL4359670

CN(C(=O)c1ccccc1)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
TSHR P16473 2/20 0.59
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CCR5 P51681 2/20 0.50
PTAFR P25105 1/20 0.50
ABCC1 P33527 1/20 0.50
CCR3 P51677 1/20 0.49

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
SCHEMBL1001922 0.98 HPGD (0.62) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL14374144 0.98 HPGD (0.62) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL3840449 0.92 CCR3 (0.51) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL9001749 0.92 CCR3 (0.51) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL9001773 0.91 TSHR (0.50) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL9001766 0.89 ALDH1A1 (0.66) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL9001761 0.89 USP30 (0.59) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL14492207 0.86 ACHE (0.51) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL13744920 0.86 ACHE (0.51) HPGDTSHRATMALDH1A1SMN1; SMN2
SCHEMBL9001768 0.86 POLB (0.62) HPGDTSHRATMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
US-7208488-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2007-04-24 US disclosed
US-7126027-B2 N-[(1-dimethylaminocycloalkyl)methyl]benzamide derivatives AKZO NOBEL N.V. (NL) 2006-10-24 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 HPGD 2223/4885TSHR 3396/4885ATM 2133/4885

“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.