SCHEMBL3563248

SCHEMBL3563248

COCCN(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL13168302 0.83 SSTR4 (0.45) HDAC1HDAC6TSHRKMT2AHSD17B10
SCHEMBL6383048 0.81 EGFR (0.58) HDAC1HDAC6TSHRHSD17B10CYP1A2
SCHEMBL29154704 0.79 TDP1 (0.49) HDAC1HDAC6KMT2AMEN1CYP1A2
SCHEMBL3574502 0.77 HDAC1 (0.52) HDAC1HDAC6KMT2AMEN1SMN1; SMN2
SCHEMBL3653521 0.74 TAAR1 (0.47) TSHRALDH1A1HTTHPGDTAAR1
SCHEMBL3571606 0.74 PTGES (0.55) HDAC1HDAC6TSHRKMT2AMEN1
SCHEMBL5191627 0.74 MEN1 (0.49) TSHRKMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL534708 0.74 TAAR1 (0.50) HDAC1HDAC6KMT2AMEN1SMN1; SMN2
SCHEMBL107426 0.73 HDAC1 (0.41) HDAC1HDAC6KMT2AMEN1SMN1; SMN2
SCHEMBL15269326 0.73 HPGD (0.54) TSHRKMT2AMEN1SMN1; SMN2HSD17B10

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-1904504-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2014-03-19 EP disclosed
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 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 (4 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 HDAC1 1373/4885HDAC6 671/4885TSHR 396/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 HDAC1 1373/4885HDAC6 671/4885TSHR 396/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 HDAC1 1373/4885HDAC6 671/4885TSHR 396/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 HDAC1 1427/4885HDAC6 677/4885TSHR 420/4885

“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.