SCHEMBL12420246

SCHEMBL12420246

N#Cc1cccc(C(ON=C2CCN(S(=O)(=O)c3ccc(O)cc3)CC2)C(=O)N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2289643 0.89 MEN1 (0.39) ALBPKMCYP2C9
SCHEMBL3638771 0.80 KMT2A (0.36) L3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2290416 0.73 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4393229 0.72 MEN1 (0.39) L3MBTL1SMN1; SMN2ATMTSHRGAA
SCHEMBL4379436 0.69 MEN1 (0.43) GAAALDH1A1CYP2C9
SCHEMBL13589015 0.69 CYP3A4 (0.43) L3MBTL1PKMSMN1; SMN2MAPK1ATM
SCHEMBL8223748 0.68 GPR6 (0.38) GAACYP2C9
SCHEMBL4379541 0.68 MEN1 (0.41) SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL4377612 0.68 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL4382730 0.68 MEN1 (0.42) GAACYP2C9

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S ALB 3785/4885L3MBTL1 2561/4885PKM 1843/4885

“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.