SCHEMBL1767355

SCHEMBL1767355

O=C(NCc1ccccc1)c1ccnc(N2CCN(Cc3ccncc3)C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.62
▸ ALDH1A1 P00352 2/20 0.53
▸ HDAC1 Q13547 2/20 0.51
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GFER P55789 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ PRKX P51817 1/20 0.46

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 0.90 SCD (0.62) SCDHDAC1LMNAHTTSMN1; SMN2
SCHEMBL1767388 0.90 L3MBTL1 (0.54) SCDALDH1A1HDAC1SMN1; SMN2MAPT
SCHEMBL1767544 0.90 L3MBTL1 (0.54) SCDALDH1A1HDAC1SMN1; SMN2MAPT
SCHEMBL1767626 0.86 SCD (0.56) SCDHDAC1LMNASMN1; SMN2MAPT
SCHEMBL1767578 0.85 SCD (0.49) SCDALDH1A1HDAC1LMNAHTT
SCHEMBL1767528 0.85 ADORA3 (0.55) SCDALDH1A1HDAC1LMNAHTT
SCHEMBL1767560 0.84 SCD (0.50) SCDALDH1A1HDAC1LMNAHTT
SCHEMBL1767391 0.84 SCD (0.52) SCDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1767484 0.83 SCD (0.66) SCDALDH1A1HDAC1LMNASMN1; SMN2
SCHEMBL17263333 0.83 SCD (0.53) SCDHDAC1LMNASMN1; SMN2MAPT

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 13 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN claimed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN 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 1/4885ALDH1A1 451/4885HDAC1 136/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885ALDH1A1 451/4885HDAC1 136/4885

“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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