SCHEMBL3373643

SCHEMBL3373643

CCNC(=O)c1sc(Br)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 6/20 0.42
GSK3B P49841 1/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK14 Q16539 2/20 0.37
ALOX15 P16050 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL12195825 0.86 NPC1 (0.47) MAPTNPC1RAB9ALMNAGAA
SCHEMBL14507424 0.79 HPGD (0.45) MAPTNPC1RAB9ALMNAGAA
SCHEMBL7218148 0.79 HPGD (0.40) MAPTNPC1RAB9ALMNAGAA
SCHEMBL3053289 0.79 HPGD (0.57) HPGDALDH1A1SMN1; SMN2HSD17B10HDAC6
SCHEMBL27602779 0.77 GSK3B (0.47) MAPTNPC1RAB9AGAAHPGD
SCHEMBL3370042 0.76 CHRM4 (0.53) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7159985 0.76 CHRM4 (0.54) MAPTNPC1RAB9ALMNAHPGD
SCHEMBL1976780 0.74 ALOX15 (0.58) MAPTNPC1RAB9ALMNAGAA
SCHEMBL364130 0.74 GPR35 (0.44) MAPTHPGDGSK3BALDH1A1MEN1
SCHEMBL5860697 0.74 GSK3B (0.42) MAPTNPC1RAB9ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPT 2947/4885NPC1 228/4885RAB9A 4305/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MAPT 2947/4885NPC1 228/4885RAB9A 4305/4885

“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.