SCHEMBL10185372

SCHEMBL10185372

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1C1CC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 7/20 0.40

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
SCHEMBL10186200 0.90 CCR3 (0.45) PTGDR2
SCHEMBL10186435 0.89 HRH3 (0.45) PTGDR2KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL10184396 0.88 KDM4E (0.44) PTGDR2KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL10186424 0.88 ALDH1A1 (0.46) PTGDR2KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL10185026 0.87 HRH3 (0.44) PTGDR2KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL10184957 0.87 DGAT1 (0.45) DGAT1
SCHEMBL10186133 0.86 DGAT1 (0.49) KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL663534 0.86 DGAT1 (0.49) KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL663535 0.86 DGAT1 (0.49) KDM4EALDH1A1SMN1; SMN2DGAT1
SCHEMBL664030 0.85 MAPT (0.47) PTGDR2KDM4EALDH1A1SMN1; SMN2DGAT1

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 PTGDR2 2134/4885KDM4E 3060/4885ALDH1A1 963/4885

“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.