SCHEMBL6116830

SCHEMBL6116830

[N-]=[N+]=CC(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
SNCA P37840 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KIF11 P52732 1/20 0.36
MAOB P27338 2/20 0.35
NTSR1 P30989 1/20 0.35
P4HB P07237 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL1426995 0.79 KIF11 (0.42) ALDH1A1KMT2ASNCACES2CES1
SCHEMBL31276715 0.79 KIF11 (0.42) ALDH1A1KMT2ASNCACES2CES1
Water SCHEMBL4365948 0.77 KIF11 (0.41) ALDH1A1KMT2ASNCACES2CES1
Water SCHEMBL31276594 0.77 KIF11 (0.41) ALDH1A1KMT2ASNCACES2CES1
Water SCHEMBL1427014 0.77 KIF11 (0.41) ALDH1A1KMT2ASNCACES2CES1
SCHEMBL3932495 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HTTHIF1A
SCHEMBL30345150 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HTTHIF1A
SCHEMBL11595569 0.76 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HTTHIF1A
SCHEMBL22097317 0.75 MAPT (0.50) ALDH1A1KMT2AHTTSNCAMAOB
SCHEMBL9448908 0.74 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
EP-2463279-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 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-20120129832-A1 AMIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 ALDH1A1 249/4885KMT2A 747/4885MEN1 3003/4885

“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.