SCHEMBL1031875

SCHEMBL1031875

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SLC29A1 Q99808 5/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.35
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
MAPK1 P28482 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
SLC9A5 Q14940 1/20 0.33

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
SCHEMBL11764977 0.93 LMNA (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11772001 0.93 LMNA (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11765891 0.91 CA12 (0.42) CA12CA1CA2CA9SLC29A1
SCHEMBL11768860 0.91 CA12 (0.42) CA12CA1CA2CA9SLC29A1
SCHEMBL2844607 0.89 CA12 (0.44) CA12CA1CA2CA9SLC29A1
SCHEMBL11769020 0.89 CA12 (0.49) CA12CA1CA2CA9SLC29A1
SCHEMBL11766112 0.87 SLC29A1 (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11766055 0.87 SLC29A1 (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11765516 0.85 ALDH1A1 (0.39) CA12CA1CA2CA9SLC29A1
SCHEMBL11668373 0.85 CA12 (0.39) CA12CA1CA2CA9SLC29A1

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
WO-2010066686-A2 NOVEL TRIAZINE POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BOREALIS AGROLINZ MELAMINE GMBH (AT) 2010-06-17 WO claimed
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-2010066686-A2 NOVEL TRIAZINE POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BOREALIS AGROLINZ MELAMINE GMBH (AT) 2010-06-17 WO 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 CA12 458/4885CA1 325/4885CA2 471/4885

“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.