SCHEMBL1767469

SCHEMBL1767469

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.53
▸ RAB9A P51151 1/20 0.50
▸ SCD O00767 6/20 0.49
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ GPR52 Q9Y2T5 1/20 0.43
▸ KDM5A P29375 3/20 0.42
▸ KDM5B Q9UGL1 3/20 0.42
▸ KDM4C Q9H3R0 2/20 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
SCHEMBL1767626 0.89 SCD (0.56) HDAC1RAB9ASCDLMNAMAPT
SCHEMBL1567882 0.88 KDM5A (0.55) HDAC1RAB9ASCDPOLBKDM4E
SCHEMBL1568058 0.87 RAB9A (0.54) HDAC1RAB9ASCDPOLBKDM4E
SCHEMBL1568774 0.86 SCD (0.57) HDAC1RAB9ASCDPOLBKDM4E
SCHEMBL1568693 0.85 SCD (0.62) HDAC1RAB9ASCDLMNAMAPT
SCHEMBL1767388 0.85 L3MBTL1 (0.54) HDAC1RAB9ASCDMAPTTP53
SCHEMBL1767544 0.85 L3MBTL1 (0.54) HDAC1RAB9ASCDMAPTTP53
SCHEMBL17263333 0.85 SCD (0.53) HDAC1RAB9ASCDLMNAMAPT
SCHEMBL1767531 0.85 HDAC1 (0.49) HDAC1RAB9ASCDLMNATP53
SCHEMBL1767389 0.84 SCD (0.50) HDAC1RAB9ASCDMAPTTP53

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 136/4885RAB9A 4305/4885SCD 1/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885RAB9A 4305/4885SCD 1/4885

“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