SCHEMBL1767531

SCHEMBL1767531

O=C(NCC1CC1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.49
▸ ACHE P22303 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ SCD O00767 6/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ F10 P00742 3/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK14 Q16539 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ HSPB1 P04792 1/20 0.42
▸ LYN P07948 1/20 0.42

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
SCHEMBL1767857 0.91 HDAC1 (0.48) HDAC1ACHESCDRAB9ATP53
SCHEMBL1767626 0.88 SCD (0.56) HDAC1SCDRAB9ATP53LMNA
SCHEMBL1767469 0.85 HDAC1 (0.53) HDAC1SCDRAB9ATP53LMNA
SCHEMBL1568693 0.85 SCD (0.62) HDAC1SCDRAB9ATP53LMNA
SCHEMBL1767388 0.85 L3MBTL1 (0.54) HDAC1SCDRAB9ATP53MAPK14
SCHEMBL17263333 0.85 SCD (0.53) HDAC1SCDRAB9ATP53LMNA
SCHEMBL1767544 0.85 L3MBTL1 (0.54) HDAC1SCDRAB9ATP53MAPK14
SCHEMBL1767494 0.85 SCD (0.47) SCDTP53LMNA
SCHEMBL1767389 0.84 SCD (0.50) HDAC1SCDRAB9ATP53
SCHEMBL1568058 0.83 RAB9A (0.54) HDAC1SCDRAB9ATP53LMNA

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 9 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-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 HDAC1 136/4885ACHE 639/4885GSK3B 1427/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885ACHE 639/4885GSK3B 1427/4885

“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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