SCHEMBL1767510

SCHEMBL1767510

O=C(NCc1ccccc1)c1ccnc(NC(=O)C2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.60
MAPT P10636 9/20 0.60
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GSK3A P49840 4/20 0.53
ACHE P22303 1/20 0.52
ACVRL1 P37023 1/20 0.51
ALOX12 P18054 1/20 0.50

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
SCHEMBL1767495 0.83 LMNA (0.53) GSK3BHPGDLMNAHTTSMN1; SMN2
SCHEMBL1767513 0.83 HTT (0.61) GSK3BMAPTALDH1A1LMNAHTT
SCHEMBL2717072 0.81 BRAF (0.61) GSK3BMAPTGSK3A
SCHEMBL28506717 0.80 GSK3B (0.55) GSK3BMAPTGSK3AACHE
SCHEMBL16702421 0.80 GSK3B (0.59) GSK3BMAPTGSK3AACVRL1
SCHEMBL18266256 0.79 GSK3B (0.50) GSK3BMAPTLMNAHTTSMN1; SMN2
SCHEMBL2716604 0.79 GSK3B (0.56) GSK3BMAPTGSK3AACHE
SCHEMBL1767500 0.79 SMN1; SMN2 (0.56) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL2715222 0.78 EPHX2 (0.51) GSK3BMAPTGSK3AACHE
SCHEMBL2715564 0.78 GSK3B (0.62) GSK3BMAPTALDH1A1HPGDSMN1; SMN2

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 GSK3B 1427/4885MAPT 2947/4885ALDH1A1 451/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 GSK3B 1427/4885MAPT 2947/4885ALDH1A1 451/4885

“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.