SCHEMBL1767484

SCHEMBL1767484

O=C(NCc1cccnc1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.66
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL1568693 0.91 SCD (0.62) SCDMAPTHDAC1L3MBTL1SMN1; SMN2
SCHEMBL1767626 0.91 SCD (0.56) SCDMAPTHDAC1GAAL3MBTL1
SCHEMBL1767575 0.90 SCD (0.53) SCDMAPTKDM4EALDH1A1HDAC1
SCHEMBL1767388 0.89 L3MBTL1 (0.54) SCDMAPTALDH1A1HDAC1L3MBTL1
SCHEMBL1767544 0.89 L3MBTL1 (0.54) SCDMAPTALDH1A1HDAC1L3MBTL1
SCHEMBL1767534 0.88 SCD (0.53) SCDMAPTKDM4EALDH1A1HDAC1
SCHEMBL17263333 0.87 SCD (0.53) SCDMAPTHDAC1L3MBTL1SMN1; SMN2
SCHEMBL1767389 0.86 SCD (0.50) SCDMAPTHDAC1L3MBTL1SMN1; SMN2
SCHEMBL1767592 0.85 SMN1; SMN2 (0.52) SCDHDAC1SMN1; SMN2TP53
SCHEMBL1767688 0.85 SCD (0.50) SCDMAPTKDM4EALDH1A1HDAC1

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 1/4885MAPT 2947/4885KDM4E 683/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MAPT 2947/4885KDM4E 683/4885

“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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