SCHEMBL1767553

SCHEMBL1767553

O=C(NCc1nccs1)c1ccnc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SCD O00767 6/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL1767456 0.90 HDAC1 (0.49) SCN3ACYP2C9CYP2D6SCDCYP3A4
SCHEMBL18121968 0.89 SCD (0.42) SCDHDAC1
SCHEMBL1767807 0.88 SCD (0.49) ALDH1A1HPGDSMN1; SMN2KDM4ESCD
SCHEMBL1767462 0.87 SCD (0.41) SCN3AALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL1767547 0.86 SCD (0.54) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL1767561 0.85 SCD (0.41) SCDKLKB1SCN9AHDAC1
SCHEMBL1767489 0.85 SCD (0.43) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL1767525 0.84 SCD (0.44) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL1767534 0.84 SCD (0.53) ALDH1A1SMN1; SMN2KDM4EGAASCD
SCHEMBL1568275 0.81 GPR52 (0.45) ALDH1A1SCDSCN9AHDAC1

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 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
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 SCN3A 3576/4885ALDH1A1 451/4885HPGD 344/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCN3A 3576/4885ALDH1A1 451/4885HPGD 344/4885

“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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