SCHEMBL4153049

SCHEMBL4153049

O=C(O)c1cccc(F)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
MRGPRX4 Q96LA9 1/20 0.51
KDM1A O60341 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTGER1 P34995 1/20 0.49
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALB P02768 1/20 0.47
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
FOLH1 Q04609 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL15716510 0.88 ALDH1A1 (0.58) ALDH1A1PTGER1CTSVCTSLNR4A2
SCHEMBL4143247 0.88 NPC1 (0.52) NPC1MRGPRX4KDM1AMAOAMAOB
SCHEMBL4145578 0.86 ALDH1A1 (0.58) NPC1MRGPRX4KDM1AALDH1A1MAOA
SCHEMBL5313068 0.85 NPC1 (0.50) NPC1MRGPRX4KDM1AALDH1A1MAOA
SCHEMBL3424839 0.83 ALDH1A1 (0.55) ALDH1A1MAOBPTGER1NR4A2NR4A1
SCHEMBL27982373 0.83 BRD4 (0.49) NPC1MRGPRX4KDM1AALDH1A1MAOA
SCHEMBL26942219 0.82 KDM1A (0.61) NPC1MRGPRX4KDM1AMAOAMAOB
SCHEMBL1305739 0.82 PTGER1 (0.61) NPC1ALDH1A1PTGER1CTSVCTSL
SCHEMBL8673772 0.82 TDP1 (0.54) ALDH1A1MAOBPTGER1CTSVCTSL
SCHEMBL5307002 0.82 NPC1 (0.47) NPC1MRGPRX4KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995567-B Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof 浙江工业大学 2022-11-25 CN disclosed
CN-111995567-A Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof 浙江工业大学 2020-11-27 CN disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB NPC1 503/4885MRGPRX4 1168/4885KDM1A 4865/4885

“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.