SCHEMBL12880751

SCHEMBL12880751

O=C1NC(=O)C2(CCC[C@@H]2c2ccccc2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CACNA1F O60840 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 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
SCHEMBL12880750 1.00 TDP1 (0.44) TDP1GAAHPGDMAPK1KCNH2
SCHEMBL9037246 0.79 SIGMAR1 (0.40) TDP1KCNH2ALDH1A1CACNA1FMAPT
SCHEMBL13668214 0.77 TDP1 (0.39) TDP1GAAHPGDMAPK1AKR1B1
SCHEMBL13668212 0.77 TDP1 (0.39) TDP1GAAHPGDMAPK1AKR1B1
SCHEMBL242119 0.72 GAA (0.40) TDP1GAAHPGDMAPK1SLC6A9
SCHEMBL6235555 0.72 CRBN (0.43) TDP1GAAHPGDMAPK1KCNH2
SCHEMBL15229601 0.72 TDP1 (0.42) TDP1GAAHPGDMAPK1KCNH2
SCHEMBL940436 0.68 GAA (0.44) TDP1GAAHPGDMAPK1ALDH1A1
SCHEMBL5358079 0.68 CRBN (0.49) KCNH2ALDH1A1CACNA1FMAPTCYP2C9
SCHEMBL14117525 0.68 CRBN (0.49) KCNH2ALDH1A1CACNA1FMAPTCYP2C9

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
US-20130123618-A1 Imaging Agents EMORY UNIVERSITY (US) 2013-05-16 US disclosed
US-20110033382-A1 Imaging Agents EMORY UNIVERSITY (US) 2011-02-10 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 (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-20110033382-A1 Imaging Agents FOLH1, FABP7, SLC1A2 TDP1 3204/4885GAA 1929/4885HPGD 4636/4885
US-20130123618-A1 Imaging Agents FOLH1, FABP7, SLC1A2 TDP1 3204/4885GAA 1929/4885HPGD 4636/4885

“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.