SCHEMBL162410

SCHEMBL162410

CN=C(N)N(c1ccc(-c2cnc(CCC(C)(C)C(=O)O)s2)cc1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ LTB4R Q15722 2/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ QPCT Q16769 1/20 0.30
▸ HSD17B13 Q7Z5P4 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
SCHEMBL160966 0.91 ERCC5 (0.31) ERCC5FEN1KDM4EHSD17B1HSD17B2
SCHEMBL163110 0.90 ERCC5 (0.36) ERCC5FEN1KDM4ELOXL2LTB4R
SCHEMBL161582 0.81 CTSK (0.30) —
SCHEMBL178103 0.80 GRIA4 (0.31) ERCC5FEN1KDM4ELOXL2
SCHEMBL162409 0.76 DGAT1 (0.44) ERCC5FEN1
SCHEMBL162408 0.76 DGAT1 (0.44) ERCC5FEN1
SCHEMBL163109 0.73 DGAT1 (0.47) ERCC5FEN1
SCHEMBL160057 0.72 DGAT1 (0.54) KDM4E
SCHEMBL161519 0.71 DGAT1 (0.45) ERCC5FEN1KDM4E
SCHEMBL161031 0.69 DGAT1 (0.42) ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — WO 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ERCC5 4116/4885FEN1 3792/4885KDM4E 4508/4885

“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.

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