SCHEMBL517700

SCHEMBL517700

CCOP(=O)(O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIRT6 Q8N6T7 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHEK1 O14757 1/20 0.38
POLB P06746 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 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
SCHEMBL1491791 0.86 NPSR1 (0.46) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL11916219 0.85 ALDH1A1 (0.44) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL3888534 0.83 ALDH1A1 (0.50) ALDH1A1LMNATDP1SIRT6HTT
Hydrochloric Acid SCHEMBL29212494 0.81 ALDH1A1 (0.49) ALDH1A1LMNATDP1SIRT6HTT
Hydrochloric Acid SCHEMBL29212471 0.80 ALDH1A1 (0.42) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL1491795 0.78 ALDH1A1 (0.54) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL9279423 0.77 MAPT (0.44) ALDH1A1LMNATDP1SMN1; SMN2KMT2A
SCHEMBL518060 0.77 ALDH1A1 (0.50) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL2032817 0.76 ALDH1A1 (0.43) ALDH1A1LMNATDP1SIRT6HTT
SCHEMBL916414 0.75 CA1 (0.58) ALDH1A1LMNAL3MBTL1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885TDP1 1289/4885

“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.