SCHEMBL1767494

SCHEMBL1767494

O=C(NCc1ccc(F)cc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL1767415 0.91 SCD (0.46) SCDALDH1A1MMP13
SCHEMBL1767391 0.90 SCD (0.52) SCDLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1767560 0.90 SCD (0.50) SCDL3MBTL1LMNAALDH1A1GAA
SCHEMBL1767626 0.88 SCD (0.56) SCDL3MBTL1LMNASMN1; SMN2GAA
SCHEMBL1767518 0.85 SCD (0.65) SCDL3MBTL1LMNAKDM4EALDH1A1
SCHEMBL1767388 0.85 L3MBTL1 (0.54) SCDL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1767544 0.85 L3MBTL1 (0.54) SCDL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17263333 0.85 SCD (0.53) SCDL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1568693 0.85 SCD (0.62) SCDL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1767531 0.85 HDAC1 (0.49) SCDLMNATP53

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 9 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-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — 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 1/4885L3MBTL1 4314/4885LMNA 2176/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885L3MBTL1 4314/4885LMNA 2176/4885

“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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