SCHEMBL13065745

SCHEMBL13065745

COc1c2oc3ccccc3nc-2c(C(=O)O)c(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.39
MAPT P10636 6/20 0.37
CYP3A4 P08684 3/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
DHODH Q02127 1/20 0.37
ABCB1 P08183 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL13065744 0.90 ABCG2 (0.48) ABCG2MAPTCYP3A4SMN1; SMN2DHODH
SCHEMBL13065730 0.88 ABCG2 (0.50) ABCG2MAPTCYP3A4SMN1; SMN2KDM4E
SCHEMBL13065739 0.88 ALDH1A1 (0.44) ABCG2MAPTSMN1; SMN2DHODHABCB1
SCHEMBL13065736 0.88 BCL9 (0.44) ABCG2MAPTCYP3A4SMN1; SMN2DHODH
SCHEMBL13065741 0.87 DHODH (0.47) ABCG2MAPTCYP3A4SMN1; SMN2DHODH
SCHEMBL13065737 0.86 DHODH (0.39) MAPTCYP3A4SMN1; SMN2ALOX15DHODH
SCHEMBL13065612 0.86 CNR1 (0.36) MAPTCYP3A4CNR1CNR2SMN1; SMN2
SCHEMBL13065734 0.85 SMN1; SMN2 (0.40) ABCG2MAPTSMN1; SMN2DHODHABCB1
SCHEMBL13065743 0.85 KDM4E (0.40) ABCG2MAPTSMN1; SMN2DHODHABCB1
SCHEMBL13065608 0.83 MEN1 (0.39) MAPTCYP3A4CNR1CNR2SMN1; SMN2

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 ABCG2 1063/4885MAPT 3092/4885CYP3A4 4203/4885
US-20100298200-A1 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 ABCG2 1063/4885MAPT 3092/4885CYP3A4 4203/4885

“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.