SCHEMBL1767575

SCHEMBL1767575

O=C(NCc1ccc(F)c(F)c1)c1ccnc(N2CCN(Cc3cccnc3)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ S1PR3 Q99500 5/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GPR52 Q9Y2T5 1/20 0.43
▸ SCN9A Q15858 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
SCHEMBL1767484 0.90 SCD (0.66) SCDHDAC1L3MBTL1KDM4EALDH1A1
SCHEMBL1767389 0.89 SCD (0.50) SCDHDAC1L3MBTL1MAPT
SCHEMBL1767520 0.87 SCD (0.50) SCDHDAC1L3MBTL1MAPTGAA
SCHEMBL1767498 0.85 SCD (0.51) SCDS1PR3
SCHEMBL1767539 0.84 ROCK2 (0.42) SCDHDAC1TSHR
SCHEMBL1767507 0.84 SCD (0.57) SCDS1PR3L3MBTL1KDM4EALDH1A1
SCHEMBL1767534 0.84 SCD (0.53) SCDHDAC1L3MBTL1KDM4EALDH1A1
SCHEMBL1767415 0.82 SCD (0.46) SCDALDH1A1
SCHEMBL1568693 0.82 SCD (0.62) SCDHDAC1L3MBTL1MAPT
SCHEMBL1767626 0.82 SCD (0.56) SCDHDAC1L3MBTL1MAPTGAA

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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN 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 136/4885S1PR3 625/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885S1PR3 625/4885

“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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