SCHEMBL4430482

SCHEMBL4430482

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
PKM P14618 1/20 0.55
AKR1C3 P42330 1/20 0.50
IDE P14735 1/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
PAX8 Q06710 1/20 0.45
CTSB P07858 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL29791392 1.00 MAPT (0.55) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL2712653 0.89 MAPT (0.54) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL1172369 0.89 MAPT (0.54) MAPTPKMAKR1C3IDEKMT2A
Formaldehyde SCHEMBL19406154 0.85 MAPT (0.51) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL4439983 0.84 MAPT (0.50) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL5129533 0.84 MAPT (0.57) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL5123709 0.83 MAPT (0.52) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL5130188 0.83 MAPT (0.60) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL2712073 0.83 SLC6A9 (0.50) MAPTPKMAKR1C3IDEKMT2A
SCHEMBL1172041 0.81 POLB (0.51) MAPTPKMAKR1C3IDEKMT2A

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 3593/4885PKM 2186/4885AKR1C3 1583/4885

“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.