SCHEMBL1767561

SCHEMBL1767561

O=C(NCc1nccs1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.41
▸ ROCK2 O75116 2/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ COPS5 Q92905 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GSK3B P49841 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
SCHEMBL1767807 0.91 SCD (0.49) SCDMAPK1HDAC1KLKB1
SCHEMBL18121968 0.91 SCD (0.42) SCDROCK2ACKR3HDAC1PSMD14
SCHEMBL1767456 0.87 HDAC1 (0.49) SCDROCK2HDAC1
SCHEMBL1767520 0.87 SCD (0.50) SCDROCK2HDAC1
SCHEMBL1767539 0.86 ROCK2 (0.42) SCDROCK2HDAC1KLKB1ACHE
SCHEMBL1767507 0.85 SCD (0.57) SCD
SCHEMBL1767553 0.85 SCN3A (0.46) SCDSCN9AHDAC1KLKB1
SCHEMBL1767389 0.85 SCD (0.50) SCDHDAC1KLKB1
SCHEMBL1767533 0.83 SCD (0.45) SCDROCK2HDAC1KLKB1ACHE
SCHEMBL1767401 0.83 SCD (0.45) SCDROCK2SCN9AKLKB1

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 1/4885ROCK2 3930/4885ACKR3 4421/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885ROCK2 3930/4885ACKR3 4421/4885

“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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