SCHEMBL1568058

SCHEMBL1568058

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.54
▸ KDM5A P29375 11/20 0.53
▸ KDM5B Q9UGL1 11/20 0.53
▸ KDM4C Q9H3R0 10/20 0.53
▸ KDM4A O75164 2/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ KDM2B Q8NHM5 3/20 0.51
▸ SCD O00767 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SSTR5 P35346 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL1568774 0.90 SCD (0.57) RAB9AKDM5AKDM5BKDM4CKDM4A
SCHEMBL1568707 0.88 HDAC1 (0.55) RAB9AKDM5AKDM5BKDM4CKDM4A
SCHEMBL1567882 0.87 KDM5A (0.55) RAB9AKDM5AKDM5BKDM4CHDAC1
SCHEMBL1767469 0.87 HDAC1 (0.53) RAB9AKDM5AKDM5BKDM4CHDAC1
SCHEMBL1767626 0.86 SCD (0.56) RAB9AHDAC1SCDLMNAMAPT
SCHEMBL1568693 0.85 SCD (0.62) RAB9AHDAC1SCDLMNAMAPT
SCHEMBL1767388 0.83 L3MBTL1 (0.54) RAB9AHDAC1SCDMAPTTP53
SCHEMBL17263333 0.83 SCD (0.53) RAB9AHDAC1SCDLMNAMAPT
SCHEMBL1767531 0.83 HDAC1 (0.49) RAB9AHDAC1SCDLMNATP53
SCHEMBL1767544 0.83 L3MBTL1 (0.54) RAB9AHDAC1SCDMAPTTP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 — — EP disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — WO 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 RAB9A 4305/4885KDM5A 797/4885KDM5B 779/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885KDM5A 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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