SCHEMBL13065585

SCHEMBL13065585

CN(C)c1ccc2nc3c(C(=O)O)c(-c4ccc(C#N)cc4)c(=O)c(O)c-3oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
APP P05067 2/20 0.35
PGR P06401 2/20 0.34
CYP19A1 P11511 1/20 0.34
ESRRB O95718 1/20 0.34
ESRRA P11474 1/20 0.34
KDM1A O60341 2/20 0.34
SNCA P37840 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CNR1 P21554 1/20 0.32
CASP1 P29466 1/20 0.32
CNR2 P34972 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL13065599 0.90 MEN1 (0.41) SLC16A3PGRCYP19A1MAPTALOX15
SCHEMBL16784717 0.89 DHODH (0.39) SLC16A3SNCAGPR119IKBKETBK1
SCHEMBL13065583 0.89 PSMB5 (0.40) SLC16A3IKBKETBK1CYP3A4MAPT
SCHEMBL13065607 0.86 SLC16A3 (0.36) SLC16A3SNCAGPR119IKBKETBK1
SCHEMBL13065737 0.84 DHODH (0.39) CYP19A1CYP3A4MAPTALOX15SMN1; SMN2
SCHEMBL13065594 0.80 MAPT (0.44) ESRRBESRRACYP3A4MAPTALOX15
SCHEMBL13065608 0.79 MEN1 (0.39) SLC16A3PGRCYP3A4MAPTALOX15
SCHEMBL13065605 0.79 MEN1 (0.43) SLC16A3CYP19A1GPR119MAPTALOX15
SCHEMBL13065601 0.79 KMT2A (0.43) SLC16A3PGRMAPTALOX15CASP1
SCHEMBL13065622 0.79 MEN1 (0.43) SLC16A3CYP19A1MAPTALOX15CASP1

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-9052324-B2 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. (US) 2015-06-09 US disclosed
US-20120322717-A9 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. 2012-12-20 US disclosed
US-20100298200-A1 Compounds and assays for controlling Wnt activity LIU DAKAI 2010-11-25 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-20120322717-A9 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 SLC16A3 4620/4885CCNT1 1453/4885CDK9 820/4885
US-20100298200-A1 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 SLC16A3 4620/4885CCNT1 1453/4885CDK9 820/4885

“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.