SCHEMBL820322

SCHEMBL820322

CC(C)[C@@H](CF)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.43
ALDH1A1 P00352 7/20 0.42
CASP3 P42574 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14928969 0.83 TDP1 (0.51) TDP1LMNATP53ALDH1A1CASP3
SCHEMBL14928346 0.83 TDP1 (0.51) TDP1LMNATP53ALDH1A1CASP3
SCHEMBL30630019 0.81 LMNA (0.53) TDP1LMNATP53ALDH1A1POLB
SCHEMBL13669517 0.81 LMNA (0.53) TDP1LMNATP53ALDH1A1POLB
SCHEMBL820702 0.81 LMNA (0.53) TDP1LMNATP53ALDH1A1POLB
SCHEMBL14928526 0.81 TDP1 (0.50) TDP1LMNATP53ALDH1A1CASP3
SCHEMBL31671417 0.81 LMNA (0.53) TDP1LMNATP53ALDH1A1POLB
SCHEMBL21121175 0.81 TDP1 (0.50) TDP1LMNATP53ALDH1A1CASP3
SCHEMBL14928489 0.80 TDP1 (0.49) TDP1LMNATP53ALDH1A1CASP3
SCHEMBL21149873 0.77 LMNA (0.53) TDP1LMNATP53ALDH1A1POLB

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-8426645-B2 Process for production of optically active fluoroamine CENTRAL GLASS COMPANY, LIMITED (JP) 2013-04-23 US disclosed
US-8058412-B2 Dehydroxyfluorination agent CENTRAL GLASS COMPANY, LIMITED (JP) 2011-11-15 US disclosed
US-20110034732-A1 Process for Production of Optically Active Fluoroamine CENTRAL GLASS COMPANY, LIMITED (JP) 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 (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-20110034732-A1 Process for Production of Optically Active Fluoroamine PHF2, HNMT, PHF8 TDP1 4348/4885LMNA 3670/4885TP53 3722/4885

“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.