SCHEMBL1767533

SCHEMBL1767533

O=C(NCc1cnc(Cl)s1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.45
▸ ROCK2 O75116 1/20 0.41
▸ HDAC1 Q13547 1/20 0.38
▸ CXCR3 P49682 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ GSK3B P49841 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
SCHEMBL1767515 0.93 SCD (0.52) SCDHDAC1KDM4EMAPTKLKB1
SCHEMBL1767539 0.89 ROCK2 (0.42) SCDROCK2HDAC1KLKB1ACHE
SCHEMBL1767464 0.89 HDAC1 (0.49) SCDROCK2HDAC1
SCHEMBL17263334 0.88 SCD (0.44) SCDHDAC1MAPT
SCHEMBL1767489 0.86 SCD (0.43) SCDHDAC1KDM4EKLKB1
SCHEMBL1767520 0.85 SCD (0.50) SCDROCK2HDAC1MAPT
SCHEMBL1767389 0.85 SCD (0.50) SCDHDAC1CXCR3MAPTKLKB1
SCHEMBL1767507 0.84 SCD (0.57) SCDKDM4EMAPT
SCHEMBL1767401 0.84 SCD (0.45) SCDROCK2KDM4EMAPTKLKB1
SCHEMBL1767561 0.83 SCD (0.41) SCDROCK2HDAC1KLKB1ACHE

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 3930/4885HDAC1 136/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885ROCK2 3930/4885HDAC1 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.

Send feedback