SCHEMBL1991869

SCHEMBL1991869

Cc1nc(C(C)NC(=O)c2cc(F)cc(NS(=O)(=O)CC3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KAT6A Q92794 2/20 0.35
KAT5 Q92993 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
KAT7 O95251 1/20 0.35
SCN9A Q15858 3/20 0.34
DDR2 Q16832 1/20 0.33
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
SLC6A9 P48067 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL1989941 0.87 MAPK14 (0.39) KAT6AKAT5KAT8KAT7SCN9A
SCHEMBL1993635 0.85 CNR1 (0.38) SCN9ABACE1BACE2
SCHEMBL1989763 0.85 CYP3A4 (0.38) SCN9ABACE1BACE2GPR139SLC6A9
SCHEMBL977153 0.83 SLC6A9 (0.38) KAT6AKAT5KAT8SCN9ABACE1
SCHEMBL977155 0.83 SLC6A9 (0.38) KAT6AKAT5KAT8SCN9ABACE1
SCHEMBL1988811 0.83 RAB9A (0.39) NPC1RAB9AKAT6AKAT5KAT8
SCHEMBL974741 0.82 SCN9A (0.35) KAT6AKAT5KAT8SCN9ABACE1
SCHEMBL974839 0.82 SCN9A (0.35) KAT6AKAT5KAT8SCN9ABACE1
SCHEMBL977431 0.82 SCN9A (0.38) KAT6AKAT5KAT8SCN9ABACE1
SCHEMBL1988741 0.82 CYP3A4 (0.43) BACE1BACE2GPR139TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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 (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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S NPC1 153/4885RAB9A 468/4885KAT6A 1850/4885

“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.