SCHEMBL19083207

SCHEMBL19083207

O=COc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSPB1 P04792 4/20 0.40
ALDH1A1 P00352 6/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 7/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.37
VCAM1 P19320 1/20 0.37
MAPK1 P28482 1/20 0.36
XDH P47989 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL16714025 0.87 ATM (0.43) ATMTDP1HSPB1ALDH1A1HIF1A
SCHEMBL27530790 0.79 TDP1 (0.55) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL29661436 0.77 ALDH1A1 (0.50) ATMTDP1HSPB1ALDH1A1HIF1A
SCHEMBL517768 0.77 ALDH1A1 (0.50) ATMTDP1HSPB1ALDH1A1HIF1A
SCHEMBL67611 0.76 ALDH1A1 (0.62) TDP1ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL10571733 0.76 TDP1 (0.40) ATMTDP1HSPB1ALDH1A1HIF1A
SCHEMBL10570471 0.76 TDP1 (0.40) ATMTDP1HSPB1ALDH1A1HIF1A
SCHEMBL28689405 0.75 CASP6 (0.44) TDP1HSPB1ALDH1A1MAPTCYP3A4
SCHEMBL3756498 0.75 TDP1 (0.56) ATMTDP1ALDH1A1HIF1AMAPT
SCHEMBL30257990 0.75 TDP1 (0.56) ATMTDP1ALDH1A1HIF1AMAPT

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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 ATM 3068/4885TDP1 4112/4885HSPB1 4158/4885

“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.