SCHEMBL19625311

SCHEMBL19625311

COc1ccc(-c2csc(C(C)(C)C)n2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
GFER P55789 1/20 0.47
KMO O15229 2/20 0.45
ALOX5 P09917 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL19625315 0.87 MEN1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19625337 0.85 KMT2A (0.42) MAPTRAB9AKMT2AALDH1A1KDM4E
SCHEMBL19626555 0.84 MAPT (0.69) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13650700 0.84 CYP1A2 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19625303 0.83 RAB9A (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1915502 0.81 ALDH1A1 (0.69) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19625313 0.80 ABL1 (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL22816181 0.80 NPC1 (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19625343 0.77 CDC25A (0.41) MAPTALDH1A1GAARECQLGFER
SCHEMBL19625347 0.77 COMT (0.39) MAPTNPC1RAB9AMEN1KMT2A

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 MAPT 4783/4885NPC1 2489/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MAPT 4783/4885NPC1 2489/4885RAB9A 3162/4885

“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.