SCHEMBL717422

SCHEMBL717422

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCC4CC4)cc3c2C)C(C)C)cn1.Cc1c(C(NC2=CC=C(C(=O)O)N(C)C2)C(C)C)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
KDM4E B2RXH2 3/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL718680 0.91 KDM4E (0.34) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL718897 0.86 ABCG2 (0.35) L3MBTL1
SCHEMBL718396 0.85 DGAT1 (0.37) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL718137 0.81 KDM4E (0.36) DGAT1KDM4EMAPTP2RX3L3MBTL1
SCHEMBL720091 0.81 GABRA1 (0.39) MAPTL3MBTL1
SCHEMBL719057 0.79 DGAT1 (0.42) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL718710 0.78 KDM4E (0.34) DGAT1KDM4EL3MBTL1ALDH1A1
SCHEMBL717092 0.76 NPC1 (0.37) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL721152 0.76 DGAT1 (0.38) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL3399846 0.75 CASP3 (0.41) MAPTL3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 (1 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP DGAT1 869/4885SOAT2 606/4885SOAT1 588/4885

“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.