SCHEMBL1767586

SCHEMBL1767586

COc1cc(C(=O)NCc2ccccc2)cc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGDS O60760 1/20 0.52
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL8975296 0.86 BCHE (0.72) BCHEACHEL3MBTL1HPGDSMN1; SMN2
SCHEMBL1767476 0.85 PLAU (0.55) L3MBTL1HPGDLMNASMN1; SMN2HPGDS
SCHEMBL1767459 0.81 SCD (0.52) L3MBTL1HPGDLMNASMN1; SMN2HPGDS
SCHEMBL11617921 0.81 NPC1 (0.52) BCHEACHEHPGDLMNASMN1; SMN2
SCHEMBL23985245 0.80 NPC1 (0.61) L3MBTL1HPGDSMN1; SMN2TP53ALDH1A1
SCHEMBL1569183 0.79 LMNA (0.64) L3MBTL1HPGDLMNASMN1; SMN2HPGDS
SCHEMBL15645654 0.78 CYP3A4 (0.53) LMNARAB9AMEN1KMT2A
SCHEMBL5480908 0.78 ALDH1A1 (0.57) BCHEACHEL3MBTL1LMNASMN1; SMN2
SCHEMBL15645297 0.77 NAMPT (0.59) LMNARAB9AMEN1KMT2A
SCHEMBL11617924 0.76 ROCK2 (0.47) BCHEACHESMN1; SMN2TAS1R3TAS1R1

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 10 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-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-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
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 BCHE 485/4885ACHE 639/4885L3MBTL1 4314/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 BCHE 485/4885ACHE 639/4885L3MBTL1 4314/4885

“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.