SCHEMBL840118

SCHEMBL840118

CC(=O)c1ccc(C(=O)N2CCOCC2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
GLA P06280 1/20 0.58
SLC6A5 Q9Y345 1/20 0.54
HPGD P15428 3/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NSD2 O96028 1/20 0.51
POLB P06746 1/20 0.51
NR4A1 P22736 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ERN1 O75460 1/20 0.51
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
CNR1 P21554 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL14647051 0.85 HPGD (0.58) SLC6A5HPGDHTTALDH1A1TP53
SCHEMBL8101386 0.83 ALDH1A1 (0.55) SLC6A5HPGDHTTALDH1A1TP53
SCHEMBL18354452 0.82 ERN1 (0.57) KMT2AGLAHPGDHTTALDH1A1
SCHEMBL1017455 0.78 PHGDH (0.69) KMT2AHPGDHTTALDH1A1TP53
SCHEMBL841589 0.77 ERN1 (0.48) KMT2AGLAHPGDHTTALDH1A1
SCHEMBL27797637 0.77 ERN1 (0.48) KMT2AGLAHTTALDH1A1KDM4E
SCHEMBL2376032 0.77 HPGD (0.75) KMT2AGLAHPGDHTTALDH1A1
SCHEMBL970089 0.77 HPGD (0.55) KMT2AGLASLC6A5HPGDHTT
SCHEMBL1663182 0.75 ALDH1A1 (0.67) KMT2AALDH1A1TP53L3MBTL1ERN1
SCHEMBL31661720 0.75 ALDH1A1 (0.67) KMT2AALDH1A1TP53L3MBTL1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI KMT2A 1346/4885GLA 106/4885SLC6A5 4131/4885

“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.