SCHEMBL10185608

SCHEMBL10185608

COc1ccc(-c2cccc(C(=O)NCCNC(=O)c3ccc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CCR3 P51677 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
KAT6A Q92794 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10186145 0.93 DGAT1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1
SCHEMBL10184493 0.90 DGAT1 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EKMT2A
SCHEMBL10185047 0.89 NPC1 (0.55) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL10184966 0.85 ACHE (0.52) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL10185204 0.85 ACSL1 (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10186059 0.84 KDM4E (0.46) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL10184323 0.84 DGAT1 (0.56) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL664114 0.84 DGAT1 (0.56) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL664113 0.84 DGAT1 (0.56) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL10185162 0.84 MTNR1B (0.51) TRPV1CCR3

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 SMN1; SMN2 4464/4885ALDH1A1 963/4885HPGD 3492/4885

“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.