SCHEMBL19625299

SCHEMBL19625299

Cc1cc(C)c(-c2csc(C(C)(C)C)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.36
COMT P21964 1/20 0.35
OPRM1 P35372 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.33
IDH1 O75874 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IDH2 P48735 1/20 0.31
CASR P41180 3/20 0.31
CCR4 P51679 1/20 0.30
NR4A1 P22736 1/20 0.30
BLM P54132 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL19626737 0.79 RECQL (0.44) LMNASMN1; SMN2KDM4EHTTPOLB
SCHEMBL19625306 0.77 MAPT (0.55) LMNASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL2381398 0.77 ALDH1A1 (0.48) LMNASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL8013772 0.77 LMNA (0.39) LMNASMN1; SMN2KDM4EHTTPOLB
SCHEMBL19625348 0.76 COMT (0.34) HTTCOMTALDH1A1MAPTMEN1
Bromide SCHEMBL7902851 0.76 ALDH1A1 (0.47) LMNASMN1; SMN2KDM4EHTTALDH1A1
Bromide SCHEMBL8001591 0.76 LMNA (0.39) LMNASMN1; SMN2KDM4EHTTPOLB
SCHEMBL27346476 0.76 CYP19A1 (0.41) LMNASMN1; SMN2KDM4EHTTPOLB
Hydrochloric Acid SCHEMBL8013241 0.74 CYP19A1 (0.40) LMNASMN1; SMN2KDM4EHTTPOLB
SCHEMBL19625331 0.74 MEN1 (0.52) SMN1; SMN2KDM4EPOLBALDH1A1MAPT

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 LMNA 2300/4885SMN1; SMN2 4828/4885KDM4E 3779/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 LMNA 2300/4885SMN1; SMN2 4828/4885KDM4E 3779/4885

“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.