SCHEMBL10186252

SCHEMBL10186252

O=C(NCCNC(=O)c1sc2ccccc2c1Cl)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRSS12 P56730 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 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
SCHEMBL10185135 0.90 RAB9A (0.48) LMNAMAPTGAANPC1RAB9A
SCHEMBL10185714 0.88 RAB9A (0.47) LMNAMAPTGAANPC1RAB9A
SCHEMBL10185078 0.86 RAB9A (0.48) LMNAMAPTGAANPC1RAB9A
SCHEMBL10185783 0.86 RXFP1 (0.56) LMNAMAPTGAANPC1RAB9A
SCHEMBL662810 0.86 RXFP1 (0.56) LMNAMAPTGAANPC1RAB9A
SCHEMBL662809 0.86 RXFP1 (0.56) LMNAMAPTGAANPC1RAB9A
SCHEMBL10186272 0.84 KMT2A (0.49) LMNAMAPTGAANPC1RAB9A
SCHEMBL10186284 0.83 L3MBTL1 (0.49) KMT2AMEN1AR
SCHEMBL10185728 0.83 KMT2A (0.49) LMNAMAPTGAANPC1RAB9A
SCHEMBL10185635 0.82 NAMPT (0.45) RAB9AAR

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 2889/4885MAPT 2628/4885GAA 183/4885

“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.