SCHEMBL3366854

SCHEMBL3366854

CN=C(SC)N(C)C(C)c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TP53 P04637 2/20 0.42
KCNT1 Q5JUK3 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
IDH1 O75874 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GRM5 P41594 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
SCHEMBL13703811 1.00 RAB9A (0.43) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL3366851 1.00 RAB9A (0.43) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL4100784 0.81 TP53 (0.42) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL4100781 0.81 TP53 (0.42) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL3365712 0.78 MAPT (0.43) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL1545116 0.78 RAB9A (0.44) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL1545114 0.78 RAB9A (0.44) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL8273345 0.78 RAB9A (0.44) RAB9ANPC1L3MBTL1MAPTMAOA
SCHEMBL13703809 0.77 LMNA (0.54) RAB9ANPC1L3MBTL1MAPTTP53
SCHEMBL1544793 0.77 LMNA (0.54) RAB9ANPC1L3MBTL1MAPTTP53

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
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 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 (5 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885L3MBTL1 4640/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 RAB9A 1785/4885NPC1 609/4885L3MBTL1 4640/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885L3MBTL1 4640/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885L3MBTL1 4640/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 RAB9A 1926/4885NPC1 554/4885L3MBTL1 4640/4885

“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.