SCHEMBL10185235

SCHEMBL10185235

Cc1cc(O[C@H]2CC[C@@H](C(=O)O)CC2)ccc1C(=O)NCCNC(=O)c1ccc(OCC2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NPC1 O15118 2/20 0.40
KAT6A Q92794 1/20 0.40
RAB9A P51151 1/20 0.40
DGAT1 O75907 7/20 0.39
GCGR P47871 1/20 0.39
ACSL1 P33121 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39

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
SCHEMBL10184929 0.94 HRH3 (0.40) NR1H4NPC1DGAT1
SCHEMBL10185185 0.91 NPC1 (0.50) NPC1RAB9ADGAT1
SCHEMBL10185129 0.89 PARP15 (0.48) NR1H4PARP15PARP10PARP2NPC1
SCHEMBL10186424 0.87 ALDH1A1 (0.46) NPC1DGAT1ACSL1
SCHEMBL10186453 0.86 DGAT1 (0.42) NPC1RAB9ADGAT1ACSL1
SCHEMBL10184366 0.86 PDE4A (0.41) DGAT1ACSL1PDE4APDE4BPDE4C
SCHEMBL10185096 0.85 ACSL1 (0.43) DGAT1ACSL1
SCHEMBL10186449 0.85 SMN1; SMN2 (0.46) NPC1RAB9ADGAT1ACSL1
SCHEMBL10186419 0.85 PARP15 (0.50) NR1H4PARP15PARP10PARP2DGAT1
SCHEMBL10186434 0.85 ATM (0.46) NPC1RAB9ADGAT1PDE4APDE4B

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 NR1H4 405/4885PARP15 1911/4885PARP10 1704/4885

“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.