SCHEMBL5132397

SCHEMBL5132397

O=[N+]([O-])c1cc(CN2CCOCC2)cc(N2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 4/20 0.59
KCNJ1 P48048 2/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CTSB P07858 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 3/20 0.47
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL5127223 0.95 MAPT (0.53) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL5129504 0.91 ALDH1A1 (0.50) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL5129427 0.89 ALDH1A1 (0.48) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL19419599 0.88 ALDH1A1 (0.69) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL4432546 0.84 MAPT (0.48) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL18099304 0.84 MAPT (0.45) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL4434559 0.84 MAPT (0.45) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL1172369 0.83 MAPT (0.54) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2712653 0.83 MAPT (0.54) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4437381 0.82 MAPT (0.45) MAPTALDH1A1KCNJ1LMNASMN1; SMN2

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 1143/4885KCNJ1 3420/4885

“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.