SCHEMBL14957643

SCHEMBL14957643

CCOc1cccc(C=O)c1OC(=S)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
SRC P12931 1/20 0.39
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6329823 0.85 SRC (0.55) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL6553840 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL181586 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL29922833 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL6553836 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL4641676 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL4645166 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL3763474 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL15700118 0.77 CA1 (0.41) ALDH1A1SMN1; SMN2HPGDHTTMEN1
SCHEMBL4641996 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDHTTMEN1

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-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS EXONHIT S.A. (FR) 2013-05-23 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-20130131018-A1 SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB, TUBB1 ALDH1A1 2257/4885SMN1; SMN2 2218/4885HPGD 2159/4885

“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.