SCHEMBL5129533

SCHEMBL5129533

O=[N+]([O-])c1cc(N2CCCC2)cc(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
AKR1C3 P42330 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
IDE P14735 1/20 0.46

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
SCHEMBL5130188 0.98 MAPT (0.60) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL5123709 0.95 MAPT (0.52) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL1172369 0.95 MAPT (0.54) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL2712653 0.91 MAPT (0.54) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
Formaldehyde SCHEMBL19406154 0.88 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4439983 0.87 MAPT (0.50) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4441473 0.86 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL5132635 0.86 SIRT6 (0.62) MAPTALDH1A1SMN1; SMN2PKMMEN1
SCHEMBL2712073 0.85 SLC6A9 (0.50) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4430482 0.84 MAPT (0.55) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 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 (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 MAPT 3593/4885ALDH1A1 1143/4885SMN1; SMN2 3746/4885

“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.