SCHEMBL1767431

SCHEMBL1767431

O=C(NCc1ccccn1)c1ccnc(-n2cnn(Cc3ccc(F)cc3)c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 13/20 0.67
▸ DGAT2 Q96PD7 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1767416 0.91 SCD (0.56) SCDPOLBKDM4E
SCHEMBL1767551 0.90 SCD (0.53) SCDTP53
SCHEMBL1767465 0.85 SCD (0.53) SCDTP53NAMPT
SCHEMBL1767519 0.85 SCD (0.67) SCDNAMPTKDM4E
SCHEMBL14480121 0.84 SCD (0.62) SCDDGAT2TP53POLB
SCHEMBL1767411 0.84 SCD (0.52) SCD
SCHEMBL348198 0.80 SCD (1.00) SCD
SCHEMBL1569155 0.79 KDM5A (0.58) SCD
SCHEMBL12648807 0.79 SCD (0.68) SCDDGAT2TP53NAMPTKDM4E
Hydrochloric Acid SCHEMBL1568728 0.78 SCD (0.67) SCDDGAT2TP53NAMPTKDM4E

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 14 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
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 SCD 1/4885DGAT2 11/4885TP53 4010/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885DGAT2 11/4885TP53 4010/4885

“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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