SCHEMBL1999494

SCHEMBL1999494

ON=Cc1c(Cl)ccnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 5/20 0.36
PKM P14618 4/20 0.36
NPC1 O15118 4/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ESR1 P03372 1/20 0.34
CA9 Q16790 1/20 0.34
ESR2 Q92731 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 4/20 0.33

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
SCHEMBL1999492 1.00 SMN1; SMN2 (0.36) SMN1; SMN2RAB9APKMNPC1GAA
SCHEMBL30255032 0.74 ALDH1A1 (0.52) SMN1; SMN2NPSR1KMT2AKDM4ELMNA
SCHEMBL304349 0.74 ALDH1A1 (0.52) SMN1; SMN2NPSR1KMT2AKDM4ELMNA
SCHEMBL890571 0.74 MAPT (0.36) SMN1; SMN2RAB9ANPC1GAAL3MBTL1
SCHEMBL890570 0.74 MAPT (0.36) SMN1; SMN2RAB9ANPC1GAAL3MBTL1
SCHEMBL21538003 0.73 POLB (0.37) SMN1; SMN2RAB9ANPC1GAANPSR1
SCHEMBL17205130 0.73 L3MBTL1 (0.39) SMN1; SMN2RAB9APKMNPC1GAA
SCHEMBL17205127 0.73 L3MBTL1 (0.39) SMN1; SMN2RAB9APKMNPC1GAA
SCHEMBL845897 0.72 HPGD (0.37) SMN1; SMN2RAB9APKMNPC1GAA
SCHEMBL845896 0.72 HPGD (0.37) SMN1; SMN2RAB9APKMNPC1GAA

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-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 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 (3 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 SMN1; SMN2 4771/4885RAB9A 1771/4885PKM 3249/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 SMN1; SMN2 4156/4885RAB9A 634/4885PKM 797/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 SMN1; SMN2 4771/4885RAB9A 1771/4885PKM 3249/4885

“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.