SCHEMBL19625318

SCHEMBL19625318

COCCc1ccc(-c2csc(C(C)(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LTA4H P09960 7/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
SREBF2 Q12772 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19626482 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19625297 0.84 LMNA (0.44) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL19625301 0.80 LTA4H (0.46) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL12293318 0.77 RAB9A (0.63) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL12282550 0.76 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL24590386 0.76 MAPT (0.40) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL24590419 0.76 MAPT (0.40) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL19625336 0.74 ATP4A (0.48) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19625361 0.74 ALOX5 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL799889 0.73 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
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 (2 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
US-10472360-B2 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.