SCHEMBL1767459

SCHEMBL1767459

COc1cc(C(=O)NCc2ccccc2)cc(NC(=O)c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.52
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HPGDS O60760 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 2/20 0.47
HDAC1 Q13547 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MMP13 P45452 2/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1767403 0.83 ROCK2 (0.52) HPGDLMNARAB9ATP53HDAC1
SCHEMBL1767586 0.81 BCHE (0.57) HPGDSMN1; SMN2LMNAHPGDSL3MBTL1
SCHEMBL1767476 0.81 PLAU (0.55) HPGDSMN1; SMN2LMNAHPGDSL3MBTL1
SCHEMBL1569183 0.76 LMNA (0.64) HPGDSMN1; SMN2LMNAHPGDSL3MBTL1
SCHEMBL1767513 0.76 HTT (0.61) SMN1; SMN2LMNAHPGDSRAB9ANPC1
SCHEMBL1767521 0.76 HDAC1 (0.62) SMN1; SMN2LMNAL3MBTL1RAB9ANPC1
SCHEMBL1767497 0.76 NPC1 (0.60) SCDHPGDSMN1; SMN2LMNAHPGDS
SCHEMBL821769 0.76 KMT2A (0.64) HPGDSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL1767413 0.75 MMP13 (0.61) HPGDSMN1; SMN2LMNAHPGDSRAB9A
SCHEMBL15305670 0.75 NPC1 (0.56) SMN1; SMN2RAB9ANPC1TP53HDAC1

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 SCD 1/4885HPGD 344/4885SMN1; SMN2 3581/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HPGD 344/4885SMN1; 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.