SCHEMBL12275366

SCHEMBL12275366

CN(C(=O)O)c1cn(CCON2C(=O)c3ccccc3C2=O)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
HSP90AB1 P08238 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34

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
SCHEMBL12275953 0.81 ALDH1A1 (0.35) GAAALDH1A1CYP1A2CYP2C9HSP90AB1
SCHEMBL1461804 0.78 HSP90AB1 (0.47) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL12275365 0.75 HSP90AB1 (0.45) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL1461801 0.73 GAA (0.38) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL4917285 0.71 GAA (0.54) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL12451342 0.70 CA1 (0.46) GAAALDH1A1RECQLHSP90AB1POLB
SCHEMBL1461856 0.70 GAA (0.40) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839649 0.70 HSP90AB1 (0.49) GAAALDH1A1RECQLHSP90AB1
SCHEMBL20518699 0.69 GAA (0.40) GAAALDH1A1CYP1A2CYP2C9RECQL
SCHEMBL18839831 0.67 GAA (0.53) GAAALDH1A1CYP1A2CYP2C9RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238488-A1 COMPOUNDS AND METHODS FOR TREATING NEOPLASIA PHARMACELLION LTD. (GB) 2012-09-20 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-20120238488-A1 COMPOUNDS AND METHODS FOR TREATING NEOPLASIA VHL, KRAS, TP53 GAA 1132/4885ALDH1A1 313/4885CYP1A2 1028/4885

“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.