SCHEMBL10186458

SCHEMBL10186458

Cc1cc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)c(F)c2F)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
RORC P51449 1/20 0.39
EPHX2 P34913 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
ENPP2 Q13822 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.37
CHRM1 P11229 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL10184464 0.92 HPGD (0.44) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL10185351 0.90 CHRM1 (0.42) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL10186537 0.88 RXFP1 (0.44) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL10186450 0.86 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186159 0.86 HRH3 (0.43) CHRM1
SCHEMBL10186162 0.86 CCR3 (0.44) HPGDPTGDR2
SCHEMBL10186457 0.85 CCR3 (0.46) HPGD
SCHEMBL10186530 0.84 CHRM1 (0.42) HPGDPTGDR2CHRM1PPARD
SCHEMBL662783 0.83 DGAT1 (0.46) HPGDEPHX2
SCHEMBL662784 0.83 DGAT1 (0.46) HPGDEPHX2

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 HPGD 3492/4885PDE4A 1520/4885PDE4B 1283/4885

“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.