SCHEMBL4437381

SCHEMBL4437381

COCc1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
MAPK1 P28482 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
AKR1C3 P42330 1/20 0.42
POLB P06746 1/20 0.42
KCNJ1 P48048 1/20 0.42
RAB9A P51151 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
SCHEMBL4554483 0.87 MAPT (0.43) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4432546 0.83 MAPT (0.48) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL18099304 0.83 MAPT (0.45) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4434559 0.83 MAPT (0.45) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL2712653 0.82 MAPT (0.54) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL1172369 0.82 MAPT (0.54) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL5132397 0.82 MAPT (0.59) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL27794469 0.81 KMT2A (0.45) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL27762667 0.81 MAPT (0.43) MAPTKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4439983 0.81 MAPT (0.50) MAPTKMT2AMEN1MAPK1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 CN disclosed
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
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 MAPT 3593/4885KMT2A 2230/4885MEN1 2800/4885

“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.