SCHEMBL10186411

SCHEMBL10186411

O=C(NCCNC(=O)c1cccs1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ DGAT1 O75907 5/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL10184908 0.88 ALDH1A1 (0.56) ALDH1A1HTTLMNAMAPTNPC1
SCHEMBL10184403 0.87 DGAT1 (0.54) ALDH1A1LMNADGAT1L3MBTL1KDM4E
SCHEMBL664114 0.86 DGAT1 (0.56) ALDH1A1LMNADGAT1NPC1RAB9A
SCHEMBL664113 0.86 DGAT1 (0.56) ALDH1A1LMNADGAT1NPC1RAB9A
SCHEMBL10184323 0.86 DGAT1 (0.56) ALDH1A1LMNADGAT1NPC1RAB9A
SCHEMBL10185677 0.83 DGAT1 (0.46) ALDH1A1HTTLMNADGAT1L3MBTL1
SCHEMBL10185122 0.83 CA12 (0.56) ALDH1A1LMNADGAT1RAB9AHSD17B10
SCHEMBL10184898 0.83 DGAT1 (0.52) LMNADGAT1L3MBTL1KDM4EHSD17B10
SCHEMBL10184880 0.83 DGAT1 (0.49) DGAT1L3MBTL1HSD17B10
SCHEMBL10185427 0.83 DGAT1 (0.49) ALDH1A1LMNAMAPTDGAT1L3MBTL1

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 ALDH1A1 963/4885HTT 922/4885LMNA 2889/4885

“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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