SCHEMBL10185392

SCHEMBL10185392

O=C(O)CC1CCN(c2ccc(C(=O)NCCNC(=O)c3sc4ccccc4c3Cl)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ PRSS12 P56730 9/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL10185786 0.90 FFAR4 (0.50) LMNAPRSS12DRD2DRD3RAB9A
SCHEMBL10186531 0.88 LMNA (0.49) LMNAPRSS12DRD2DRD3RAB9A
SCHEMBL10185126 0.80 DRD3 (0.56) DRD2DRD3
SCHEMBL10185371 0.79 NPC1 (0.51) LMNAPRSS12RAB9ANPC1KMT2A
SCHEMBL10185156 0.79 FFAR4 (0.44) SMN1; SMN2HPGD
SCHEMBL10185134 0.79 NPY2R (0.47) LMNATP53
SCHEMBL13117791 0.75 CHRM4 (0.40) DRD2DRD3SMN1; SMN2HPGD
SCHEMBL10186252 0.74 LMNA (0.47) LMNAPRSS12RAB9ANPC1KMT2A
SCHEMBL10184542 0.72 DRD3 (0.50) DRD2DRD3
SCHEMBL10185135 0.72 RAB9A (0.48) LMNAPRSS12RAB9ANPC1KMT2A

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 LMNA 2889/4885PRSS12 3098/4885DRD2 1147/4885

“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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