SCHEMBL1767530

SCHEMBL1767530

O=C(NCc1ccccc1)c1ccnc(-n2ccc(-c3ccccc3)cc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.58
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ROCK1 Q13464 3/20 0.51
▸ HPGDS O60760 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ CFD P00746 1/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ PRKCG P05129 2/20 0.47
▸ PKN2 Q16513 2/20 0.47
▸ MAP4K5 Q9Y4K4 2/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ RPS6KA5 O75582 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ GSK3A P49840 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
SCHEMBL1568316 0.88 SCD (0.58) SCDLMNAHTTSMN1; SMN2ROCK1
SCHEMBL1568392 0.84 SCD (0.62) SCDLMNAHTTSMN1; SMN2ROCK1
SCHEMBL3373661 0.74 SCD (1.00) SCD
SCHEMBL1767364 0.74 SCD (0.52) SCDLMNAHTTSMN1; SMN2ROCK1
SCHEMBL1767551 0.73 SCD (0.53) SCDLMNAHTTSMN1; SMN2
SCHEMBL8358422 0.72 MMP13 (0.68) LMNAHTTSMN1; SMN2ROCK1HPGDS
SCHEMBL1569133 0.72 SMN1; SMN2 (0.67) LMNAHTTSMN1; SMN2ROCK1HPGDS
SCHEMBL1767574 0.72 LMNA (0.54) LMNAHTTSMN1; SMN2ROCK1
SCHEMBL31023476 0.71 EPHX2 (0.54) LMNAHTTSMN1; SMN2ROCK1HPGDS
SCHEMBL3595668 0.71 VHL (0.83) —

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 12 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-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-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
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 1/4885LMNA 2176/4885HTT 2592/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885LMNA 2176/4885HTT 2592/4885

“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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