SCHEMBL1836724

SCHEMBL1836724

O=C(NCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)NOCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
PLK1 P53350 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL1835313 0.89 PLK1 (0.42) NAMPTPLK1GAAMTOR
SCHEMBL1703629 0.83 PLK1 (0.50) PLK1GAAMAPT
SCHEMBL4028183 0.82 PLK1 (0.47) PLK1GAASMN1; SMN2
SCHEMBL12077218 0.82 NAMPT (0.45) NAMPTPLK1GAASMN1; SMN2MAPT
SCHEMBL12077659 0.81 NAMPT (0.48) NAMPTPLK1GAA
SCHEMBL13046649 0.80 CYP2C19 (0.55) PLK1GAAMAPT
SCHEMBL12092504 0.79 NAMPT (0.57) NAMPTPLK1GAAEPHX2
SCHEMBL13276780 0.78 PLK1 (0.41) NAMPTPLK1GAAMAPT
SCHEMBL1835907 0.77 MAPKAPK2 (0.53)
SCHEMBL12077059 0.76 NAMPT (0.53) NAMPTPLK1GAASMN1; SMN2MAPT

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-9006426-B2 Squaric acid derivatives as inhibitors of the nicotinamide TOPOTARGET A/S (DK) 2015-04-14 US claimed
US-9006426-B2 Squaric acid derivatives as inhibitors of the nicotinamide TOPOTARGET A/S (DK) 2015-04-14 US disclosed
US-9006426-B2 Squaric acid derivatives as inhibitors of the nicotinamide TOPOTARGET A/S (DK) 2015-04-14 US disclosed
US-9006426-B2 Squaric acid derivatives as inhibitors of the nicotinamide TOPOTARGET A/S (DK) 2015-04-14 US disclosed
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2012-09-06 US disclosed
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2012-09-06 US disclosed
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2012-09-06 US disclosed
EP-2318369-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE TopoTarget A/S (DK) 2011-05-11 EP disclosed
WO-2009156421-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE TOPOTARGET A/S (DK) 2009-12-30 WO disclosed
WO-2009156421-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE TOPOTARGET A/S (DK) 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 (1 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-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE SUCNR1, NAMPT, NAPRT NAMPT 2/4885PLK1 2489/4885GAA 2585/4885

“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.