SCHEMBL4434501

SCHEMBL4434501

COCCOc1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 5/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
SLC6A9 P48067 2/20 0.44
SLC6A5 Q9Y345 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 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
SCHEMBL4434970 0.84 SLC6A9 (0.55) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL4437381 0.80 MAPT (0.45) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL4434128 0.80 LMNA (0.52) MAPTTDP1MEN1KMT2AMAPK1
SCHEMBL14032547 0.79 MAPT (0.46) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL2712653 0.78 MAPT (0.54) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL1172369 0.78 MAPT (0.54) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL5129235 0.78 KDM1A (0.43) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL30396635 0.77 MAPT (0.53) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL12525222 0.77 KMT2A (0.54) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL26086358 0.77 MAPT (0.53) MAPTTDP1MEN1KMT2AHPGD

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 3593/4885TDP1 588/4885MEN1 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.