SCHEMBL1767495

SCHEMBL1767495

O=C(CC1CC1)Nc1cc(C(=O)NCc2ccccc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAOA P21397 2/20 0.46
GSK3B P49841 2/20 0.45
ACHE P22303 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC3 O15379 1/20 0.45
GLS O94925 1/20 0.44
HPGDS O60760 2/20 0.44

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
SCHEMBL1767510 0.83 GSK3B (0.60) LMNAHTTSMN1; SMN2GSK3BACHE
SCHEMBL1767500 0.82 SMN1; SMN2 (0.56) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767513 0.82 HTT (0.61) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767472 0.77 KDM1A (0.59) LMNAHTTSMN1; SMN2RAB9AMAOA
SCHEMBL1767543 0.77 SMN1; SMN2 (0.55) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767460 0.77 L3MBTL1 (0.56) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL13574797 0.77 LMNA (0.55) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767448 0.76 KDM5A (0.56) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767447 0.76 SMN1; SMN2 (0.54) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1767502 0.76 LMNA (0.59) LMNAHTTSMN1; SMN2RAB9AHSD17B10

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
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885HTT 2592/4885SMN1; SMN2 3581/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885HTT 2592/4885SMN1; SMN2 3581/4885

“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.