SCHEMBL19625501

SCHEMBL19625501

CCN(CC)c1ccc(-c2csc(C(C)(C)C)n2)cc1N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
TRIM24 O15164 1/20 0.34
AR P10275 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL19626520 0.87 ALDH1A1 (0.44) SMN1; SMN2RAB9ATRIM24HSD17B10ALDH1A1
SCHEMBL19625429 0.80 ALDH1A1 (0.42) COMTSMN1; SMN2RAB9ATRIM24AR
SCHEMBL19625369 0.79 MAPT (0.38) COMTRAB9AARALOX15HSD17B10
SCHEMBL19625367 0.79 CYP3A4 (0.40) COMTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL19625465 0.79 RAB9A (0.42) COMTSMN1; SMN2RAB9ATRIM24AR
SCHEMBL19625373 0.78 RAB9A (0.44) COMTSMN1; SMN2RAB9ATRIM24AR
SCHEMBL17625945 0.78 BCHE (0.32)
SCHEMBL19625461 0.78 ALDH1A1 (0.43) COMTSMN1; SMN2RAB9ATRIM24ALDH1A1
SCHEMBL19625524 0.77 RAB9A (0.43) SMN1; SMN2RAB9ATRIM24ARTP53
SCHEMBL19625441 0.76 ABL1 (0.38) COMTRAB9AARALOX15HSD17B10

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 COMT 3261/4885SMN1; SMN2 4828/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 COMT 3261/4885SMN1; SMN2 4828/4885RAB9A 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.