SCHEMBL10186272

SCHEMBL10186272

O=C(NCCNC(=O)c1c(F)cc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1F)c1sc2ccccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.44
PRSS12 P56730 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
OGG1 O15527 1/20 0.43
OPRM1 P35372 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL10185728 0.90 KMT2A (0.49) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10185135 0.86 RAB9A (0.48) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL662809 0.85 RXFP1 (0.56) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL662810 0.85 RXFP1 (0.56) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10185783 0.85 RXFP1 (0.56) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10186252 0.84 LMNA (0.47) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10185714 0.84 RAB9A (0.47) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10185773 0.83 L3MBTL1 (0.51) HTTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10185078 0.82 RAB9A (0.48) KMT2ARXFP1MEN1HTTRAB9A
SCHEMBL10186238 0.81 RAB9A (0.46) KMT2AMEN1RAB9AOPRM1

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 KMT2A 441/4885RXFP1 3304/4885MEN1 2222/4885

“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.