SCHEMBL1033546

SCHEMBL1033546

CN(CCO)c1nc(NCCO)nc(N(C)CCO)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 2/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC29A1 Q99808 5/20 0.40
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK1 P06493 1/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2218301 0.96 KMT2A (0.46) CA1CA2CA9CA12KMT2A
SCHEMBL13220471 0.86 SLC29A1 (0.50) CA1CA2CA9CA12KMT2A
SCHEMBL1817685 0.82 GAA (0.50) CA1CA2CA9KMT2AGAA
SCHEMBL1031875 0.82 CA12 (0.46) CA1CA2CA9CA12MAPK1
SCHEMBL2219150 0.81 SLC29A1 (0.49) KMT2AGAAMEN1MAPK1SLC29A1
SCHEMBL1817811 0.79 GAA (0.50) CA1CA2CA9KMT2AGAA
SCHEMBL1032559 0.77 SLC29A1 (0.49) KMT2AGAAMEN1MAPK1SLC29A1
SCHEMBL11764977 0.76 LMNA (0.52) CA1CA2CA9CA12SLC29A1
SCHEMBL11772001 0.76 LMNA (0.52) CA1CA2CA9CA12SLC29A1
SCHEMBL2843828 0.75 CA12 (0.39) CA1CA2CA9CA12SLC29A1

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
EP-2268610-B1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP BOREALIS AGROLINZ MELAMINE (AT) 2016-08-03 EP disclosed
US-8871842-B2 Method for producing a compound with at least one at least monosubstituted amino group BOREALIS AGROLINZ MELAMINE GMBH (AT) 2014-10-28 US disclosed
US-20110178212-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group BOREALIS AGROLINZ MELAMINE GMBH (AT) 2011-07-21 US disclosed
EP-2268610-A1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP Borealis Agrolinz Melamine GmbH (AT) 2011-01-05 EP disclosed
WO-2009121603-A1 METHOD FOR PRODUCING A COMPOUND WITH AT LEAST ONE AT LEAST MONOSUBSTITUTED AMINO GROUP BOREALIS AGROLINZ MELAMINE GMBH (AT) 2009-10-08 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-20110178212-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group INMT, AADAT, AANAT CA1 325/4885CA2 471/4885CA9 347/4885

“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.