SCHEMBL4554483

SCHEMBL4554483

CC(C)OCc1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
KMT2A Q03164 4/20 0.42
MAPK1 P28482 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL4437381 0.87 MAPT (0.45) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL14032548 0.79 LMNA (0.43) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL4434559 0.79 MAPT (0.45) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL18099304 0.79 MAPT (0.45) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL4432546 0.79 MAPT (0.48) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL1172369 0.78 MAPT (0.54) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL2712653 0.78 MAPT (0.54) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL5132397 0.78 MAPT (0.59) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL5132587 0.78 AGXT (0.45) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL27794469 0.77 KMT2A (0.45) MAPTKMT2AMAPK1MEN1SMN1; 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 3 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
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 MAPT 3593/4885KMT2A 2230/4885MAPK1 256/4885

“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.