SCHEMBL19626482

SCHEMBL19626482

COCCc1ccc(-c2csc(C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 4/20 0.50
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
GFER P55789 1/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19625318 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19626741 0.82 GAA (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10697351 0.81 GAA (0.53) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8113094 0.80 ATP4A (0.64) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
Bromide SCHEMBL9519187 0.79 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15384510 0.78 GAA (0.57) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12297161 0.78 GAA (0.57) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4050295 0.77 GAA (0.56) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17440110 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL507232 0.77 GAA (0.56) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885NPC1 2489/4885SMN1; SMN2 4828/4885

“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.