SCHEMBL19625484

SCHEMBL19625484

CC(C)(C)c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
NOTUM Q6P988 2/20 0.51
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.46
KDR P35968 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CXCR1 P25024 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
GALR3 O60755 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
SCHEMBL3226277 0.84 MEN1 (0.71) MEN1KMT2ARAB9ANPC1BRD4
SCHEMBL12203569 0.84 MEN1 (0.71) MEN1KMT2ARAB9ANPC1BRD4
SCHEMBL2321001 0.82 RAB9A (0.51) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL26262561 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1BRD4
SCHEMBL24168672 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL799923 0.81 MEN1 (1.00) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL23603568 0.81 MEN1 (0.68) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL31124862 0.77 RAB9A (0.46) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL31124857 0.77 RAB9A (0.46) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL2609422 0.76 RAB9A (0.53) MEN1KMT2ARAB9ANPC1NOTUM

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 MEN1 4625/4885KMT2A 3504/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MEN1 4625/4885KMT2A 3504/4885RAB9A 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.