SCHEMBL1767542

SCHEMBL1767542

O=C(NCc1ccccn1)c1ccnc(N2CCN(CC3CC3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.49
▸ KDM4E B2RXH2 5/20 0.46
▸ L3MBTL1 Q9Y468 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ GLA P06280 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MEN1 O00255 2/20 0.43

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 0.89 SCD (0.52) SCDKDM4EALDH1A1KMT2AMAPK1
SCHEMBL1767560 0.85 SCD (0.50) SCDL3MBTL1ALDH1A1POLBGAA
SCHEMBL1767518 0.83 SCD (0.65) SCDKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL1767494 0.83 SCD (0.47) SCDKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL17263322 0.83 SCD (0.58) SCDKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL12648807 0.83 SCD (0.68) SCDKDM4EL3MBTL1ALDH1A1GLA
Hydrochloric Acid SCHEMBL1568728 0.82 SCD (0.67) SCDKDM4EL3MBTL1ALDH1A1GLA
SCHEMBL1767415 0.81 SCD (0.46) SCDALDH1A1
SCHEMBL1767507 0.81 SCD (0.57) SCDKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL1767627 0.81 SCD (0.56) SCDKDM4EL3MBTL1ALDH1A1POLB

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-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — 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 683/4885L3MBTL1 4314/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885L3MBTL1 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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