SCHEMBL2303453

SCHEMBL2303453

CN(C)C=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2nccc(N3CCOCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR6 P50406 2/20 0.34
SLC40A1 Q9NP59 1/20 0.34

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
SCHEMBL2303447 1.00 ALDH1A1 (0.42) ALDH1A1MAPTPIK3CAMTORPTGS2
SCHEMBL2240681 0.81 MAPT (0.42) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2240673 0.81 MAPT (0.42) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2996618 0.79 SMN1; SMN2 (0.38) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2992544 0.78 SMN1; SMN2 (0.39) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2990855 0.76 ALDH1A1 (0.36) ALDH1A1MAPTGAASMN1; SMN2HTR6
SCHEMBL2244188 0.75 SMN1; SMN2 (0.37) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2244181 0.75 SMN1; SMN2 (0.37) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL2998009 0.75 SMN1; SMN2 (0.36) ALDH1A1MAPTGAASMN1; SMN2RAB9A
SCHEMBL12346964 0.75 HTR6 (0.49) ALDH1A1PIK3CAMTORSMN1; SMN2POLB

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 ALDH1A1 2581/4885MAPT 2120/4885PIK3CA 371/4885

“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.