SCHEMBL10185461

SCHEMBL10185461

Cc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.46
KMT2A Q03164 3/20 0.46
HRH3 Q9Y5N1 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL662783 0.90 DGAT1 (0.46) DGAT1KMT2AHRH3L3MBTL1POLB
SCHEMBL10185451 0.90 DGAT1 (0.46) DGAT1KMT2AHRH3L3MBTL1POLB
SCHEMBL662784 0.90 DGAT1 (0.46) DGAT1KMT2AHRH3L3MBTL1POLB
SCHEMBL10185429 0.90 DGAT1 (0.48) DGAT1HRH3L3MBTL1LMNAKDM4E
SCHEMBL10186152 0.90 HRH3 (0.45) DGAT1KMT2AHRH3L3MBTL1MEN1
SCHEMBL10184897 0.89 PDE4A (0.48) DGAT1HRH3
SCHEMBL10185357 0.89 DGAT1 (0.43) DGAT1KMT2AHRH3L3MBTL1MEN1
SCHEMBL10184403 0.89 DGAT1 (0.54) DGAT1KMT2AHRH3L3MBTL1MEN1
SCHEMBL10184852 0.89 POLB (0.47) KMT2AHRH3L3MBTL1MEN1POLB
SCHEMBL10185044 0.88 LMNA (0.54) DGAT1HRH3L3MBTL1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DGAT1 1/4885KMT2A 441/4885HRH3 2422/4885

“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.