SCHEMBL1579080

SCHEMBL1579080

CCCN(CCC)c1ccc([N+](=O)[O-])cc1/C=C1\SC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.52
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
TDP2 O95551 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
HPGD P15428 4/20 0.48
MAPT P10636 4/20 0.46
MCL1 Q07820 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1579081 1.00 IGF1R (0.52) IGF1RGAAMGAMSIMGAM2
SCHEMBL1579082 0.87 ALDH3A1 (0.43) IGF1RGAAMGAMSIMGAM2
SCHEMBL6929818 0.76 ALDH3A1 (0.58) MAPTALDH1A1POLBALDH3A1
SCHEMBL1249111 0.73 TDP1 (0.75) IGF1RGAAMGAMSIMGAM2
SCHEMBL4834139 0.73 TDP1 (0.75) IGF1RGAAMGAMSIMGAM2
SCHEMBL1249114 0.73 TDP1 (0.75) IGF1RGAAMGAMSIMGAM2
SCHEMBL1579232 0.71 IGF1R (0.54) IGF1RGAAMGAMSIMGAM2
SCHEMBL1579231 0.71 IGF1R (0.54) IGF1RGAAMGAMSIMGAM2
SCHEMBL13846609 0.70 IGF1R (0.56) IGF1RGAAMGAMSIMGAM2
SCHEMBL1247925 0.70 IGF1R (0.56) IGF1RGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 EP disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 IGF1R 216/4885GAA 525/4885MGAM 1727/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 IGF1R 291/4885GAA 611/4885MGAM 2064/4885

“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.