SCHEMBL1767547

SCHEMBL1767547

O=C(NCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SCN5A Q14524 4/20 0.42
▸ SCN9A Q15858 4/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ KCNQ2 O43526 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL1767627 0.89 SCD (0.56) SCDKDM4EMAPTGFERTDP1
SCHEMBL17263322 0.88 SCD (0.58) SCDKDM4EMAPTGFERTDP1
SCHEMBL12648807 0.88 SCD (0.68) SCDKDM4EMAPTGFERTDP1
Hydrochloric Acid SCHEMBL1568728 0.88 SCD (0.67) SCDKDM4EMAPTGFERTDP1
SCHEMBL1767525 0.87 SCD (0.44) SCDKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1767553 0.86 SCN3A (0.46) SCDKDM4EALDH1A1SMN1; SMN2SCN5A
SCHEMBL1767534 0.86 SCD (0.53) SCDKDM4EMAPTGFERL3MBTL1
SCHEMBL1767489 0.86 SCD (0.43) SCDKDM4EALDH1A1SMN1; SMN2HTR2C
SCHEMBL1767462 0.86 SCD (0.41) SCDKDM4EALDH1A1SMN1; SMN2HTR2C
SCHEMBL1767507 0.85 SCD (0.57) SCDKDM4EMAPTGFERTDP1

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 15 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-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US claimed
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN claimed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — 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 1/4885KDM4E 683/4885MAPT 2947/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885MAPT 2947/4885

“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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