SCHEMBL1648292

SCHEMBL1648292

CCOC(=O)c1cnnn1-c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
GABRA2 P47869 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL22731945 0.81 HSD11B1 (0.53) ALDH1A1LMNAPOLBAPEX1RECQL
SCHEMBL29574308 0.81 HSD11B1 (0.53) ALDH1A1LMNAPOLBAPEX1RECQL
SCHEMBL1646033 0.79 BACE1 (0.51)
SCHEMBL8156087 0.79 TP53 (0.58) ALDH1A1SMN1; SMN2LMNATP53ALOX12
SCHEMBL15475205 0.73 TP53 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBTDP1
SCHEMBL6765042 0.73 KDM4E (0.54) ALDH1A1SMN1; SMN2LMNAL3MBTL1TP53
SCHEMBL26002143 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL1646873 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBTP53
SCHEMBL8156170 0.72 IDO1 (0.46) ALDH1A1SMN1; SMN2POLBTP53ALOX12
SCHEMBL14711072 0.71 SLC5A1 (0.50) ALDH1A1SMN1; SMN2POLBTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 683/4885SMN1; SMN2 760/4885LMNA 1633/4885

“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.