SCHEMBL244404

SCHEMBL244404

O=C(NCc1cccnc1)c1cnc(N2CCN(CC3CC3)C2=O)s1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.72
▸ NAMPT P43490 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL242781 0.84 SCD (1.00) SCD
SCHEMBL241505 0.81 SCD (0.95) SCD
SCHEMBL242621 0.81 SCD (0.98) SCD
SCHEMBL243527 0.80 SCD (1.00) SCD
SCHEMBL1767518 0.80 SCD (0.65) SCDHTTPIK3CAALDH1A1HDAC1
SCHEMBL244646 0.80 SCD (0.77) SCDPIK3CAPOLBTSHRALDH1A1
SCHEMBL243174 0.79 SCD (0.90) SCD
SCHEMBL243474 0.77 SCD (0.48) SCDHDAC1
SCHEMBL245301 0.77 SCD (0.45) SCD
SCHEMBL244281 0.76 SCD (0.85) SCD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US claimed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 — — EP claimed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO claimed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — US 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885NAMPT 366/4885HTT 929/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885NAMPT 484/4885HTT 2592/4885

“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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