SCHEMBL1767560

SCHEMBL1767560

O=C(NCc1ccncc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.50
▸ NAMPT P43490 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38

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 0.92 SCD (0.52) SCDMEN1KMT2AALDH1A1HTT
SCHEMBL1767494 0.90 SCD (0.47) SCDGAAALDH1A1MAPTL3MBTL1
SCHEMBL1767518 0.89 SCD (0.65) SCDHDAC1KMT2AALDH1A1MAPT
SCHEMBL1767415 0.87 SCD (0.46) SCDALDH1A1ROCK2MMP13KLKB1
SCHEMBL1767542 0.85 SCD (0.49) SCDNAMPTGAAMEN1KMT2A
SCHEMBL1767355 0.84 SCD (0.62) SCDHDAC1ALDH1A1MAPTHTT
SCHEMBL1767544 0.83 L3MBTL1 (0.54) SCDHDAC1ALDH1A1MAPTL3MBTL1
SCHEMBL1767388 0.83 L3MBTL1 (0.54) SCDHDAC1ALDH1A1MAPTL3MBTL1
SCHEMBL1569190 0.79 HRH3 (0.44) SCDALDH1A1MAPTL3MBTL1PIK3CA
SCHEMBL1767626 0.78 SCD (0.56) SCDHDAC1GAAMAPTL3MBTL1

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 8 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-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 1/4885NAMPT 484/4885HDAC1 136/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885NAMPT 484/4885HDAC1 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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