SCHEMBL4716206

SCHEMBL4716206

O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
HCAR3 P49019 3/20 0.50
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4716210 1.00 GAA (0.55) GAACYP1A2HDAC8SMN1; SMN2HCAR3
SCHEMBL2793284 0.93 GAA (0.58) GAACYP1A2HDAC8SMN1; SMN2HCAR3
SCHEMBL26675757 0.87 GAA (0.56) GAACYP1A2HDAC8SMN1; SMN2MAPT
SCHEMBL26675754 0.87 GAA (0.56) GAACYP1A2HDAC8SMN1; SMN2MAPT
SCHEMBL26675782 0.87 GAA (0.56) GAACYP1A2HDAC8SMN1; SMN2MAPT
SCHEMBL30716719 0.87 GAA (0.56) GAACYP1A2HDAC8SMN1; SMN2MAPT
SCHEMBL2789608 0.87 LMNA (0.59) GAACYP1A2HDAC8SMN1; SMN2HCAR3
SCHEMBL2789965 0.87 MAPT (0.55) GAACYP1A2HDAC8SMN1; SMN2HCAR3
SCHEMBL4711722 0.86 GAA (0.51) GAACYP1A2HDAC8SMN1; SMN2HCAR3
SCHEMBL4711725 0.86 GAA (0.51) GAACYP1A2HDAC8SMN1; SMN2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 GAA 2920/4885CYP1A2 107/4885HDAC8 1485/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 GAA 3354/4885CYP1A2 73/4885HDAC8 1449/4885

“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.