SCHEMBL147060

SCHEMBL147060

O=[N+]([O-])C=Cc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.56
NFE2L2 Q16236 4/20 0.52
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
VCP P55072 2/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSMD14 O00487 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL121050 1.00 FBP1 (0.56) FBP1NFE2L2ATMTDP1VCP
SCHEMBL4515449 0.86 FBP1 (0.54) FBP1NFE2L2ATMTDP1VCP
SCHEMBL4515454 0.86 FBP1 (0.54) FBP1NFE2L2ATMTDP1VCP
SCHEMBL4515451 0.86 FBP1 (0.54) FBP1NFE2L2ATMTDP1VCP
SCHEMBL612345 0.85 FBP1 (0.56) FBP1NFE2L2ATMTDP1VCP
SCHEMBL612346 0.85 FBP1 (0.56) FBP1NFE2L2ATMTDP1VCP
SCHEMBL3743116 0.82 FBP1 (0.53) FBP1VCPHTR2AHTR2CKCNH2
SCHEMBL1202363 0.82 FBP1 (0.53) FBP1VCPHTR2AHTR2CKCNH2
SCHEMBL3743119 0.82 FBP1 (0.53) FBP1VCPHTR2AHTR2CKCNH2
SCHEMBL18590413 0.82 FBP1 (0.58) FBP1NFE2L2VCPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
EP-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 FBP1 472/4885NFE2L2 686/4885ATM 4302/4885
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 FBP1 530/4885NFE2L2 839/4885ATM 4343/4885

“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.