SCHEMBL9933904

SCHEMBL9933904

COC[C@@H](C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TNF P01375 5/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4626053 1.00 TDP1 (0.59) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL11914467 1.00 TDP1 (0.59) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL5272703 0.86 TDP1 (0.53) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL16648489 0.86 TDP1 (0.57) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL22893524 0.85 TDP1 (0.42) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL16661414 0.84 TDP1 (0.57) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL5274914 0.83 TDP1 (0.53) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL27755640 0.82 TDP1 (0.65) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL9109894 0.82 TDP1 (0.60) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL10639046 0.82 TDP1 (0.51) TDP1PDE4APDE4BPDE4CPDE4D

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 TDP1 1089/4885PDE4A 563/4885PDE4B 613/4885

“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.