SCHEMBL3363593

SCHEMBL3363593

CSC(=NC1CC1)N(C)Cc1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.42
GRM5 P41594 2/20 0.41
MAPT P10636 1/20 0.41
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL3363592 1.00 LMNA (0.57) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL13703810 1.00 LMNA (0.57) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL1544793 0.87 LMNA (0.54) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL1544792 0.87 LMNA (0.54) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL13703809 0.87 LMNA (0.54) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL1544892 0.82 MAOA (0.39) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL1544894 0.82 MAOA (0.39) LMNARAB9ANPC1KMT2AMAPK1
SCHEMBL13871032 0.82 TP53 (0.46) LMNARAB9ANPC1MAPK1ALDH1A1
SCHEMBL2898819 0.82 TP53 (0.46) LMNARAB9ANPC1MAPK1ALDH1A1
SCHEMBL3368622 0.80 LMNA (0.57) LMNARAB9ANPC1KMT2AMAPK1

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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 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-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 LMNA 4509/4885RAB9A 1926/4885NPC1 554/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 LMNA 4539/4885RAB9A 1785/4885NPC1 609/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 LMNA 4509/4885RAB9A 1926/4885NPC1 554/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 LMNA 4509/4885RAB9A 1926/4885NPC1 554/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 LMNA 4509/4885RAB9A 1926/4885NPC1 554/4885

“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.