SCHEMBL1767578

SCHEMBL1767578

O=C(NCc1ccccc1)c1ccnc(N2CCN(Cc3ccc4nsnc4c3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.49
▸ MAPT P10636 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GFER P55789 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL1767528 0.88 ADORA3 (0.55) SCDMAPTSMN1; SMN2TP53LMNA
SCHEMBL1568693 0.85 SCD (0.62) SCDMAPTSMN1; SMN2TP53LMNA
SCHEMBL1767355 0.85 SCD (0.62) SCDMAPTSMN1; SMN2LMNAHTT
SCHEMBL1767626 0.81 SCD (0.56) SCDMAPTSMN1; SMN2TP53LMNA
SCHEMBL1767391 0.79 SCD (0.52) SCDSMN1; SMN2LMNAHTTKDM4E
SCHEMBL1767520 0.79 SCD (0.50) SCDMAPTSMN1; SMN2TP53LMNA
SCHEMBL1767507 0.78 SCD (0.57) SCDMAPTSMN1; SMN2KDM4EGFER
SCHEMBL17263333 0.78 SCD (0.53) SCDMAPTSMN1; SMN2TP53LMNA
SCHEMBL1767388 0.78 L3MBTL1 (0.54) SCDMAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL1767544 0.78 L3MBTL1 (0.54) SCDMAPTSMN1; SMN2TP53L3MBTL1

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 1/4885MAPT 2947/4885SMN1; SMN2 3581/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MAPT 2947/4885SMN1; SMN2 3581/4885

“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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