SCHEMBL4187065

SCHEMBL4187065

COC(C(N)=O)c1ccc(N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SLC2A1 P11166 1/20 0.44
GAA P10253 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 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
SCHEMBL5041999 0.84 ALDH1A1 (0.53) ALDH1A1SLC2A1GAAL3MBTL1MAPT
SCHEMBL1579147 0.81 ALDH1A1 (0.47) ALDH1A1SLC2A1GAAL3MBTL1MAPT
SCHEMBL4280687 0.79 ESR1 (0.42) MAPTTSHRALOX15SMN1; SMN2ESR2
SCHEMBL1578781 0.78 GAA (0.48) ALDH1A1SLC2A1GAAL3MBTL1MAPT
SCHEMBL14641231 0.78 ALDH1A1 (0.44) ALDH1A1SLC2A1GAAL3MBTL1MAPT
SCHEMBL19734679 0.78 AOC3 (0.42) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL29920956 0.78 ALOX5 (0.47) ALDH1A1L3MBTL1MAPTHPGDATM
SCHEMBL18920888 0.78 CA1 (0.52) ALDH1A1L3MBTL1MAPTTSHRNPC1
SCHEMBL29921041 0.78 KMT2A (0.45) ALDH1A1L3MBTL1TSHRSMN1; SMN2MEN1
SCHEMBL8476179 0.77 KMT2A (0.57) ALDH1A1GAAL3MBTL1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK ALDH1A1 872/4885SLC2A1 2706/4885GAA 4378/4885

“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.