SCHEMBL4157597

SCHEMBL4157597

O=C1c2ccccc2CN1c1c[c]ccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
PKM P14618 4/20 0.56
CYP11B2 P19099 3/20 0.56
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3290802 0.82 NPC1 (0.74) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL4188221 0.81 NPC1 (1.00) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL29874794 0.81 NPC1 (1.00) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL28582028 0.81 NPC1 (0.42) NPC1RAB9APKMCYP11B2KMT2A
Hydrochloric Acid SCHEMBL31529590 0.80 NPC1 (0.96) NPC1RAB9APKMCYP11B2KMT2A
Acetic Acid SCHEMBL3681231 0.74 NPC1 (0.83) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL27265234 0.73 HTT (0.49) RAB9AKMT2AGAAMEN1HTT
SCHEMBL14542411 0.72 NPC1 (0.74) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL11255826 0.72 NPC1 (0.74) NPC1RAB9APKMCYP11B2KMT2A
SCHEMBL17131794 0.72 NPC1 (0.74) NPC1RAB9APKMCYP11B2KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030083-A1 Use of n-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury DOMPE' PHA.R.MA S.P.A (IT) 2009-01-29 US claimed
EP-1579859-B1 Use of N-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury DOMPE PHA R MA SPA RES & MFG (IT) 2006-12-13 EP claimed
WO-2005092315-A1 USE OF N-(2-ARYL-PROPIONYL)-SULFONAMIDES FOR THE TREATMENT OF SPINAL CORD INJURY DOMPE' PHA.R.MA S.P.A. (IT) 2005-10-06 WO claimed
EP-1579859-A1 Use of N-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury Dompe' S.P.A. (IT) 2005-09-28 EP claimed
JP-53127463-A None JP disclosed
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US disclosed
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES DOMPE PHA.R.MA S.P.A. (IT) 2009-08-13 US disclosed
US-20090030083-A1 Use of n-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury DOMPE' PHA.R.MA S.P.A (IT) 2009-01-29 US disclosed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP disclosed
EP-1579859-B1 Use of N-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury DOMPE PHA R MA SPA RES & MFG (IT) 2006-12-13 EP disclosed
WO-2005092315-A1 USE OF N-(2-ARYL-PROPIONYL)-SULFONAMIDES FOR THE TREATMENT OF SPINAL CORD INJURY DOMPE' PHA.R.MA S.P.A. (IT) 2005-10-06 WO disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 WO disclosed
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 US disclosed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP disclosed
EP-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP disclosed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 WO disclosed
CN-1017527-B Process for preparing optically active oxoisoindolinyl derivatives ERBA FARMITALIA (IT) 1992-07-22 CN disclosed
CN-88101200-A The preparation method of the oxo-isoindolinyl derivatives of optically-active 1988-10-26 CN disclosed
JP-S53127463-A 2-(4-(1-OXO-2-ISOINDOLINYL)PHENYL) PROPYLALDEHYDE AND ITS PREPARATION GRELAN PHARMACEUT CO LTD 1978-11-07 JP 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 (3 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-20090030083-A1 Use of n-(2-aryl-propionyl)-sulfonamides for the treatment of spinal cord injury PMP22, SMN1; SMN2, PLP2 NPC1 4503/4885RAB9A 3512/4885PKM 3410/4885
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them ELANE, MPO, FPR1 NPC1 1760/4885RAB9A 2055/4885PKM 4195/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 NPC1 590/4885RAB9A 904/4885PKM 1408/4885

“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.