SCHEMBL4170841

SCHEMBL4170841

O=C(CCl)Nc1ccc(Br)cc1COC(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 3/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
PAX8 Q06710 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL4181126 0.81 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL6264160 0.78 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL3629114 0.76 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL29528391 0.76 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL10603799 0.76 NPC1 (0.57) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL30613082 0.76 NPC1 (0.57) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL23973932 0.73 NPC1 (0.58) ALDH1A1HTTSMN1; SMN2TDP1MEN1
SCHEMBL1119860 0.73 AAK1 (0.61) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL4193257 0.72 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2KDM4ETDP1
SCHEMBL22042930 0.71 POLB (0.50) ALDH1A1HTTSMN1; SMN2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050943-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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 (2 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 ALDH1A1 4011/4885HTT 2204/4885SMN1; SMN2 2560/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 ALDH1A1 3772/4885HTT 3797/4885SMN1; SMN2 1922/4885

“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.