SCHEMBL1767455

SCHEMBL1767455

O=C(NCc1ccc(F)cc1)c1ccnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.52
▸ SCD O00767 7/20 0.51
▸ KDM1A O60341 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ PTGER4 P35408 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 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
SCHEMBL1767626 0.94 SCD (0.56) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1767388 0.92 L3MBTL1 (0.54) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1767544 0.92 L3MBTL1 (0.54) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL17263333 0.90 SCD (0.53) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1568693 0.90 SCD (0.62) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1767389 0.87 SCD (0.50) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1767520 0.87 SCD (0.50) HDAC1SCDL3MBTL1TP53RAB9A
SCHEMBL1767627 0.87 SCD (0.56) HDAC1SCDKDM1AL3MBTL1MAPT
SCHEMBL1767456 0.86 HDAC1 (0.49) HDAC1SCDKDM1A
SCHEMBL1767557 0.86 SCD (0.58) HDAC1SCDL3MBTL1TP53MAPT

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
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-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 HDAC1 136/4885SCD 1/4885KDM1A 1068/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885SCD 1/4885KDM1A 1068/4885

“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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