SCHEMBL1579948

SCHEMBL1579948

NCCCCC(=O)N1CCC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
GNAI3 P08754 2/20 0.38
GNAI1 P63096 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GNAO1 P09471 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1580336 0.95 ATM (0.52) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL1578993 0.93 ATM (0.47) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL7514173 0.91 ATM (0.45) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL1579968 0.88 ATM (0.45) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL1578576 0.88 ATM (0.48) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL4417462 0.84 ATM (0.71) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL8552859 0.83 L3MBTL1 (0.71) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL21568846 0.82 ATM (0.68) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL4417681 0.82 ATM (0.68) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL8557820 0.81 L3MBTL1 (0.62) ATML3MBTL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US claimed
JP-2011526616-A 2011-10-13 JP claimed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US claimed
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 EP claimed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 WO claimed
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

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 ATM 710/4885L3MBTL1 1902/4885MEN1 3123/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ATM 649/4885L3MBTL1 2095/4885MEN1 3498/4885

“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.