SCHEMBL662810

SCHEMBL662810

O=C(NCCNC(=O)c1sc2ccccc2c1Cl)c1ccc(OC2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
PRSS12 P56730 2/20 0.51
DGAT1 O75907 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
JAK2 O60674 1/20 0.46
OGG1 O15527 1/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL10185783 1.00 RXFP1 (0.56) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL662809 1.00 RXFP1 (0.56) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10185782 0.94 RXFP1 (0.52) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10186533 0.94 RXFP1 (0.52) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10185728 0.86 KMT2A (0.49) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10186252 0.86 LMNA (0.47) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10186272 0.85 KMT2A (0.49) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10185135 0.85 RAB9A (0.48) RXFP1KMT2AMEN1HTTRAB9A
SCHEMBL10184323 0.82 DGAT1 (0.56) KMT2AMEN1RAB9ANPC1DGAT1
SCHEMBL664114 0.82 DGAT1 (0.56) KMT2AMEN1RAB9ANPC1DGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US claimed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
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 RXFP1 3304/4885KMT2A 441/4885MEN1 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.