SCHEMBL2029331

SCHEMBL2029331

COCCOP(=O)(Cc1ccc([N+](=O)[O-])c(OC)c1)OCCOC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
HTT P42858 2/20 0.40
CHEK1 O14757 1/20 0.40
TTR P02766 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2032495 0.90 SMN1; SMN2 (0.44) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2030933 0.90 ALDH1A1 (0.42) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2032817 0.88 ALDH1A1 (0.43) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2030326 0.85 ALDH1A1 (0.40) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2031264 0.82 ALDH1A1 (0.42) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2035749 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2034207 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2636912 0.81 ALDH1A1 (0.46) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2030059 0.80 TTR (0.45) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL15283819 0.78 CCNT1 (0.42) ALDH1A1LMNATDP1SIRT6HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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 (2 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ALDH1A1 1117/4885LMNA 4131/4885TDP1 472/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ALDH1A1 1117/4885LMNA 4131/4885TDP1 472/4885

“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.