SCHEMBL1767518

SCHEMBL1767518

O=C(NCc1cccnc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.65
▸ PIK3CA P42336 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 3/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL1767391 0.91 SCD (0.52) SCDPIK3CALMNAKMT2ASMN1; SMN2
SCHEMBL1767560 0.89 SCD (0.50) SCDPIK3CAL3MBTL1LMNAKMT2A
SCHEMBL1767494 0.85 SCD (0.47) SCDL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL1767484 0.84 SCD (0.66) SCDL3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL1767415 0.84 SCD (0.46) SCDALDH1A1
SCHEMBL1767542 0.83 SCD (0.49) SCDL3MBTL1LMNAKMT2AALDH1A1
SCHEMBL1767575 0.81 SCD (0.53) SCDL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL244404 0.80 SCD (0.72) SCDPIK3CALMNAALDH1A1KDM4E
SCHEMBL1767534 0.80 SCD (0.53) SCDL3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL242781 0.79 SCD (1.00) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
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 1/4885PIK3CA 2130/4885L3MBTL1 4314/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885PIK3CA 2130/4885L3MBTL1 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.

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