SCHEMBL1767456

SCHEMBL1767456

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.49
▸ SCN3A Q9NY46 1/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ SCD O00767 9/20 0.42
▸ SRPK1 Q96SB4 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL18121968 0.91 SCD (0.42) HDAC1SCDROCK2
SCHEMBL1767807 0.91 SCD (0.49) HDAC1SCDKMT2A
SCHEMBL1767553 0.90 SCN3A (0.46) HDAC1SCN3ASCDCYP3A4CYP2D6
SCHEMBL1767561 0.87 SCD (0.41) HDAC1SCDROCK2
SCHEMBL1767455 0.86 HDAC1 (0.52) HDAC1KDM1ASCD
SCHEMBL1767488 0.86 HDAC1 (0.49) HDAC1KDM1ASCDSRPK1ROCK2
SCHEMBL1767627 0.86 SCD (0.56) HDAC1KDM1ASCDKMT2A
SCHEMBL1767464 0.84 HDAC1 (0.49) HDAC1KDM1ASCDROCK2
SCHEMBL1767552 0.84 HDAC1 (0.48) HDAC1KDM1ASCDROCK2
SCHEMBL348772 0.82 SCD (0.64) HDAC1SCD

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-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 HDAC1 136/4885SCN3A 3576/4885KDM1A 1068/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885SCN3A 3576/4885KDM1A 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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