SCHEMBL14930463

SCHEMBL14930463

CC(=O)CCc1csc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL14306958 0.78 HPGD (0.45) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL2041229 0.78 HPGD (0.39) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL15073114 0.77 HPGD (0.47) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL1121587 0.73 HPGD (0.41) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL10367333 0.70 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL14281051 0.70 HPGD (0.37) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL15572842 0.69 HPGD (0.38) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL14281011 0.69 HPGD (0.38) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL14306966 0.66 HPGD (0.38) SMN1; SMN2HPGDMAPTALDH1A1NPC1
SCHEMBL1121822 0.65 HPGD (0.60) SMN1; SMN2HPGDMAPTALDH1A1NPC1

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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 SMN1; SMN2 3164/4885HPGD 1266/4885MAPT 3237/4885

“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.