SCHEMBL723499

SCHEMBL723499

O=C(CCl)NCc1cccc(-c2cc3nccc(Oc4ccc(Oc5ccccc5)cc4)c3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AOC3 Q16853 2/20 0.38
MET P08581 2/20 0.38
PLA2G1B P04054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.37
RNF4 P78317 1/20 0.37
PADI1 Q9ULC6 1/20 0.37
PADI3 Q9ULW8 1/20 0.37
PADI4 Q9UM07 1/20 0.37
PADI2 Q9Y2J8 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK14 Q16539 2/20 0.37

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
SCHEMBL723442 0.87 EGFR (0.44) METCYSLTR1MAPK14EPHX1FFAR1
SCHEMBL723189 0.85 ALDH1A1 (0.54) HTTALDH1A1SMN1; SMN2MITFPOLB
SCHEMBL723075 0.84 VSIR (0.43) HTTALDH1A1SMN1; SMN2AOC3PLA2G1B
SCHEMBL723784 0.83 ALDH1A1 (0.53) HTTALDH1A1SMN1; SMN2L3MBTL1MITF
SCHEMBL723476 0.81 RNF4 (0.52) HTTALDH1A1SMN1; SMN2METMITF
SCHEMBL722298 0.80 MITF (0.56) HTTALDH1A1SMN1; SMN2MITFPOLB
SCHEMBL16817188 0.79 NPC1 (0.47) HTTALDH1A1CYSLTR1
SCHEMBL723733 0.79 ALDH1A1 (0.46) HTTALDH1A1SMN1; SMN2L3MBTL1MITF
SCHEMBL723378 0.78 CYP3A4 (0.47) HTTALDH1A1SMN1; SMN2METMITF
SCHEMBL723786 0.76 CYP3A4 (0.48) ALDH1A1SMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB HTT 4737/4885ALDH1A1 1457/4885SMN1; SMN2 4592/4885

“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.