SCHEMBL19625322

SCHEMBL19625322

CN(C)c1ccc(-c2csc(C(C)(C)C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.52
ATP4B P51164 2/20 0.52
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
APP P05067 2/20 0.42
PTGS2 P35354 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
GAA P10253 4/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL19625329 0.83 NPC1 (0.43) ATP4AATP4BMAPTSMN1; SMN2RAB9A
SCHEMBL12282550 0.82 RAB9A (0.54) MAPTSMN1; SMN2PTGS2RAB9ANPC1
SCHEMBL19625383 0.81 SMN1; SMN2 (0.46) ATP4AATP4BMAPTSMN1; SMN2RAB9A
SCHEMBL19626485 0.81 GAA (0.57) ATP4AATP4BMAPTSMN1; SMN2RAB9A
SCHEMBL12282347 0.79 LTA4H (0.58) ATP4AATP4BMAPTSMN1; SMN2PTGS2
SCHEMBL19625332 0.79 RAB9A (0.58) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL19625300 0.79 RAB9A (0.56) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL799889 0.79 RAB9A (0.56) MAPTSMN1; SMN2PTGS2RAB9ANPC1
SCHEMBL19625353 0.79 ATP4A (0.49) ATP4AATP4BMAPTSMN1; SMN2RAB9A
SCHEMBL26014382 0.79 RAB9A (0.58) ATP4AATP4BMAPTSMN1; SMN2RAB9A

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 ATP4A 1734/4885ATP4B 1169/4885MAPT 4783/4885

“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.