SCHEMBL1767517

SCHEMBL1767517

O=C(NCc1nccs1)c1ccnc(-n2cnn(Cc3ccc(F)c(F)c3)c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 12/20 0.57
▸ KDM5A P29375 2/20 0.37
▸ KDM5B Q9UGL1 2/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ COPS5 Q92905 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL1767519 0.91 SCD (0.67) SCDMMP13MAPK1
SCHEMBL1767416 0.85 SCD (0.56) SCDPTGER4
SCHEMBL1767396 0.83 SCD (0.45) SCDKDM5AKDM5BROCK2
SCHEMBL1767573 0.81 KDM5A (0.54) KDM5AKDM5BKDM4C
SCHEMBL1767561 0.80 SCD (0.41) SCDPSMD14STAMBPCOPS5ROCK2
SCHEMBL1767411 0.77 SCD (0.52) SCDMMP13ROCK2
SCHEMBL1767551 0.77 SCD (0.53) SCDPTGER4
SCHEMBL1767431 0.77 SCD (0.67) SCD
SCHEMBL1767465 0.75 SCD (0.53) SCDMMP13ROCK2
SCHEMBL243821 0.72 SCD (1.00) SCD

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 11 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
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 1/4885KDM5A 797/4885KDM5B 779/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM5A 797/4885KDM5B 779/4885

“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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