SCHEMBL252937

SCHEMBL252937

O=C(NCc1cccnc1)c1scnc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 2/20 0.52
MMP13 P45452 1/20 0.52
SORT1 Q99523 1/20 0.52
MCHR1 Q99705 1/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL11625535 0.75 ALDH1A1 (0.76) NPSR1HTTMMP13SORT1TSHR
SCHEMBL5639502 0.73 RECQL (0.53) NPSR1TSHRALDH1A1MAPTLMNA
SCHEMBL3459320 0.73 NPSR1 (0.58) NPSR1HTTMMP13TSHRALDH1A1
SCHEMBL30565166 0.73 NPSR1 (0.58) NPSR1HTTMMP13TSHRALDH1A1
SCHEMBL15421497 0.73 NAMPT (0.62) NPSR1HTTMMP13TSHRALDH1A1
SCHEMBL7663247 0.72 RECQL (0.64) NPSR1HTTALDH1A1MAPTLMNA
SCHEMBL26719552 0.72 ALDH1A1 (0.40) NPSR1HTTALDH1A1MAPTGAA
SCHEMBL29367205 0.71 HTT (0.69) NPSR1HTTMMP13TSHRALDH1A1
SCHEMBL2229698 0.71 HDAC1 (0.72) NPSR1HTTMMP13SORT1TSHR
SCHEMBL11626058 0.71 VNN1 (0.67) NPSR1HTTSORT1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 NPSR1 3424/4885HTT 929/4885MMP13 1231/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NPSR1 3754/4885HTT 2592/4885MMP13 1303/4885

“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.