SCHEMBL1568693

SCHEMBL1568693

O=C(NCc1ccccc1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.62
▸ TP53 P04637 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PRKAA2 P54646 1/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL1767626 0.96 SCD (0.56) SCDTP53SMN1; SMN2MAPTPRKAA2
SCHEMBL1767388 0.93 L3MBTL1 (0.54) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767544 0.93 L3MBTL1 (0.54) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL17263333 0.93 SCD (0.53) SCDTP53SMN1; SMN2MAPTPRKAA2
SCHEMBL1767484 0.91 SCD (0.66) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767355 0.90 SCD (0.62) SCDSMN1; SMN2MAPTHDAC1L3MBTL1
SCHEMBL1767557 0.90 SCD (0.58) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767455 0.90 HDAC1 (0.52) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL12648807 0.90 SCD (0.68) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767389 0.90 SCD (0.50) SCDTP53SMN1; SMN2MAPTHDAC1

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 11 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-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
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 — — EP disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — WO 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 1/4885TP53 4010/4885SMN1; SMN2 3581/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885TP53 4010/4885SMN1; 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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