SCHEMBL1767437

SCHEMBL1767437

Cc1nc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.53
▸ HDAC1 Q13547 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KLKB1 P03952 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL1568368 0.87 SCD (0.54) SCDHDAC1KDM4ELMNAPOLB
SCHEMBL1767626 0.87 SCD (0.56) SCDHDAC1LMNAMAPTRAB9A
SCHEMBL1767588 0.85 SCD (0.55) SCDHDAC1KDM4ELMNAPOLB
SCHEMBL1767404 0.84 SCD (0.51) SCDHDAC1MAPTTSHRRAB9A
SCHEMBL1767544 0.83 L3MBTL1 (0.54) SCDHDAC1MAPTRAB9ATP53
SCHEMBL17263333 0.83 SCD (0.53) SCDHDAC1LMNAMAPTRAB9A
SCHEMBL1568693 0.83 SCD (0.62) SCDHDAC1LMNAMAPTRAB9A
SCHEMBL1767388 0.83 L3MBTL1 (0.54) SCDHDAC1MAPTRAB9ATP53
SCHEMBL1767537 0.83 SCD (0.55) SCDHDAC1KDM4ELMNAPOLB
SCHEMBL1767452 0.83 SCD (0.47) SCDHDAC1MAPTTSHRRAB9A

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 1/4885HDAC1 136/4885KDM4E 683/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885KDM4E 683/4885

“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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