SCHEMBL1767507

SCHEMBL1767507

O=C(NCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.57
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ GLA P06280 2/20 0.49
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ S1PR3 Q99500 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
SCHEMBL1767498 0.93 SCD (0.51) SCDS1PR3
SCHEMBL12648807 0.91 SCD (0.68) SCDKDM4EMAPTL3MBTL1GFER
Hydrochloric Acid SCHEMBL1568728 0.90 SCD (0.67) SCDKDM4EMAPTL3MBTL1GFER
SCHEMBL17263322 0.90 SCD (0.58) SCDKDM4EMAPTL3MBTL1GFER
SCHEMBL1767520 0.88 SCD (0.50) SCDMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL1767627 0.87 SCD (0.56) SCDKDM4EMAPTL3MBTL1GFER
SCHEMBL1767557 0.86 SCD (0.58) SCDKDM4EMAPTL3MBTL1GFER
SCHEMBL1767389 0.86 SCD (0.50) SCDMAPTL3MBTL1SMN1; SMN2
SCHEMBL1767401 0.86 SCD (0.45) SCDKDM4EMAPTALDH1A1GLA
SCHEMBL1767561 0.85 SCD (0.41) 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 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 claimed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — 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 1/4885KDM4E 683/4885MAPT 2947/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885MAPT 2947/4885

“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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