SCHEMBL4176097

SCHEMBL4176097

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.45
RCE1 Q9Y256 1/20 0.44
ALOX15 P16050 2/20 0.44
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16755643 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL23035655 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL27278135 0.80 EPHX1 (0.55) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL20943429 0.78 ALDH1A1 (0.83) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL11841388 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL27288004 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL4187065 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL1578840 0.74 GAA (0.54) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL67860 0.74 ALDH1A1 (0.87) ALDH1A1KDM4ETSHRHSD17B10GAA
SCHEMBL27868338 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 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-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK ALDH1A1 872/4885KDM4E 854/4885TSHR 648/4885

“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.