SCHEMBL4435404

SCHEMBL4435404

N#Cc1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
SLC6A9 P48067 2/20 0.52
SLC6A5 Q9Y345 2/20 0.52
MAPT P10636 6/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42

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
SCHEMBL28331756 0.85 VCAM1 (0.59) VCAM1MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL1172369 0.85 MAPT (0.54) MAPTPKMTDP1MEN1MAPK1
SCHEMBL2712653 0.85 MAPT (0.54) MAPTPKMTDP1MEN1MAPK1
Formaldehyde SCHEMBL19406154 0.82 MAPT (0.51) MAPTPKMTDP1MEN1MAPK1
SCHEMBL4725669 0.81 KDM4E (0.51) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL30668867 0.81 VCAM1 (0.53) VCAM1SLC6A9SLC6A5MAPTALDH1A1
SCHEMBL29141362 0.81 VCAM1 (0.53) VCAM1SLC6A9SLC6A5MAPTALDH1A1
SCHEMBL5129533 0.80 MAPT (0.57) MAPTPKMTDP1MEN1MAPK1
SCHEMBL4439983 0.80 MAPT (0.50) MAPTPKMTDP1MEN1MAPK1
SCHEMBL2712073 0.79 SLC6A9 (0.50) SLC6A9SLC6A5MAPTPKMTDP1

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 VCAM1 4395/4885SLC6A9 3762/4885SLC6A5 3564/4885

“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.