SCHEMBL10185472

SCHEMBL10185472

O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)NCCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ DGAT1 O75907 12/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL10186181 0.90 DGAT1 (0.47) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL661514 0.88 DGAT1 (0.59) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL10184275 0.88 HPGD (0.54) HPGDPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL10186205 0.83 DGAT1 (0.52) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL13117523 0.81 DGAT1 (0.52) DGAT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10184835 0.79 HPGD (0.44) HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL10185421 0.79 DGAT1 (0.50) DGAT1ALDH1A1SMN1; SMN2
SCHEMBL10185470 0.78 NPC1 (0.55) HPGDDGAT1ALDH1A1SMN1; SMN2NPC1
SCHEMBL10185715 0.78 DGAT1 (0.49) DGAT1
SCHEMBL10184517 0.78 DGAT1 (0.49) DGAT1

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 3492/4885POLB 3114/4885HTT 922/4885

“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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