SCHEMBL4553107

SCHEMBL4553107

O=[N+]([O-])c1cc(N2CCOCC2)cc(N2CCC3(CC2)OCCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 8/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
AKR1C3 P42330 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
IDE P14735 1/20 0.41

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
SCHEMBL1172369 0.87 MAPT (0.54) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL2712653 0.83 MAPT (0.54) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL2230536 0.82 MAPT (0.58) LGMNSMN1; SMN2GAAMAPTMEN1
SCHEMBL5129533 0.82 MAPT (0.57) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL5123709 0.81 MAPT (0.52) SMN1; SMN2GAAMAPTPKMMEN1
SCHEMBL5130188 0.81 MAPT (0.60) SMN1; SMN2GAAMAPTPKMMEN1
Formaldehyde SCHEMBL19406154 0.81 MAPT (0.51) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL4439983 0.79 MAPT (0.50) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL5132635 0.78 SIRT6 (0.62) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL4441473 0.78 MAPT (0.62) LGMNSMN1; SMN2MAPTPKMMEN1

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-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 LGMN 4851/4885SMN1; SMN2 3746/4885GAA 4060/4885

“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.