SCHEMBL10186157

SCHEMBL10186157

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MITF O75030 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL10184941 0.94 MEN1 (0.45) NPC1RAB9ASMN1; SMN2MITFMEN1
SCHEMBL10184824 0.92 POLB (0.43) NPC1RAB9ASMN1; SMN2MITFMEN1
SCHEMBL10185347 0.92 CCR3 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10184935 0.92 TAS1R3 (0.44) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL10184921 0.91 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MITFMEN1
SCHEMBL10184875 0.91 POLB (0.48) NPC1RAB9ASMN1; SMN2MITFMEN1
SCHEMBL10185364 0.90 CCR3 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL10185105 0.90 CCR3 (0.49) NPC1RAB9APOLBLMNAPTGDR2
SCHEMBL10186447 0.89 CHRM1 (0.41) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL10184358 0.89 DRD4 (0.41) PTGDR2CCR3

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 NPC1 201/4885RAB9A 1660/4885SMN1; SMN2 4464/4885

“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.