SCHEMBL1767401

SCHEMBL1767401

Cc1cc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)c(F)c4)C3=O)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.45
▸ S1PR3 Q99500 2/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL1568368 0.92 SCD (0.54) SCDNAMPTROCK2KDM4EMAPT
SCHEMBL1767552 0.88 HDAC1 (0.48) SCDNAMPTROCK2
SCHEMBL17263326 0.87 SCD (0.45) SCDNAMPTROCK2KDM4EALDH1A1
SCHEMBL1767525 0.86 SCD (0.44) SCDKLKB1KDM4EALDH1A1
SCHEMBL1767507 0.86 SCD (0.57) SCDS1PR3NAMPTKDM4EALDH1A1
SCHEMBL1767520 0.85 SCD (0.50) SCDROCK2MAPTHTR7
SCHEMBL1767539 0.84 ROCK2 (0.42) SCDROCK2KLKB1KDM5AKDM5B
SCHEMBL1767389 0.84 SCD (0.50) SCDKLKB1MAPTHTR7
SCHEMBL1767533 0.84 SCD (0.45) SCDROCK2KLKB1KDM4EMAPT
SCHEMBL1767561 0.83 SCD (0.41) SCDROCK2KLKB1SCN9A

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 10 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-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 1/4885S1PR3 625/4885NAMPT 484/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885S1PR3 625/4885NAMPT 484/4885

“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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