SCHEMBL3313541

SCHEMBL3313541

COC(=O)C(Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
LDHA P00338 1/20 0.51
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TTR P02766 1/20 0.43
PTPRB P23467 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 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
SCHEMBL3315974 0.81 ALDH1A1 (0.50) ALDH1A1LDHAMAPTCYP1A2CYP3A4
SCHEMBL16428849 0.81 ALDH1A1 (0.51) ALDH1A1LDHAMAPTCYP1A2CYP3A4
SCHEMBL23574510 0.79 GSTP1 (0.52) ALDH1A1
SCHEMBL23574509 0.79 GSTP1 (0.52) ALDH1A1
SCHEMBL2593349 0.79 CYP1A2 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6206979 0.79 LDHA (0.58) ALDH1A1LDHACYP3A4TTRPTPRB
SCHEMBL934471 0.79 FOS (0.64) ALDH1A1LDHACYP3A4LMNATTR
SCHEMBL29750606 0.78 TTR (0.64) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL704754 0.78 TTR (0.64) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL1048336 0.78 ALDH1A1 (0.53) ALDH1A1LDHAMAPTLMNATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885LDHA 2602/4885MAPT 2130/4885

“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.