SCHEMBL10185677

SCHEMBL10185677

Cc1csc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.46
▸ MMP12 P39900 1/20 0.44
▸ HRH3 Q9Y5N1 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL10186470 0.88 DGAT1 (0.44) DGAT1MMP12HRH3ALDH1A1L3MBTL1
SCHEMBL10185689 0.87 MMP12 (0.53) DGAT1MMP12ALDH1A1HSD17B10LMNA
SCHEMBL10185044 0.87 LMNA (0.54) DGAT1HRH3L3MBTL1LMNAPOLB
SCHEMBL10184403 0.85 DGAT1 (0.54) DGAT1HRH3ALDH1A1L3MBTL1HSD17B10
SCHEMBL10184950 0.84 DGAT1 (0.46) DGAT1MMP12HRH3ALDH1A1L3MBTL1
SCHEMBL10185270 0.84 MMP13 (0.57) DGAT1HRH3L3MBTL1HTTLMNA
SCHEMBL10185040 0.83 HDAC1 (0.46) DGAT1HRH3OPRM1
SCHEMBL10185204 0.83 ACSL1 (0.49) DGAT1LMNAMEN1KMT2APOLB
SCHEMBL10186411 0.83 ALDH1A1 (0.55) DGAT1ALDH1A1L3MBTL1HTTHSD17B10
SCHEMBL10185461 0.83 DGAT1 (0.46) DGAT1HRH3ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US 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 1/4885MMP12 1217/4885HRH3 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.

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