SCHEMBL3390082

SCHEMBL3390082

O=C(O)Cc1ccc([N+](=O)[O-])c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CASP6 P55212 1/20 0.40
FBP1 P09467 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
AKR1B1 P15121 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2438040 0.87 CYP1A2 (0.54) CYP1A2CASP6FBP1ATMTDP1
SCHEMBL19180921 0.85 CYP1A2 (0.53) CYP1A2CASP6FBP1TDP1PDK1
SCHEMBL19180970 0.85 CYP1A2 (0.53) CYP1A2CASP6FBP1ATMTDP1
SCHEMBL19181626 0.82 CYP1A2 (0.49) CYP1A2FBP1PDK1ALDH1A1MMP2
SCHEMBL31558555 0.79 CYP1A2 (0.45) CYP1A2CASP6FBP1ATMTDP1
SCHEMBL6583252 0.79 CYP1A2 (0.45) CYP1A2CASP6FBP1ATMTDP1
SCHEMBL1343473 0.79 MAPK1 (0.42) TDP1MAPTALDH1A1
SCHEMBL3038768 0.78 CYP1A2 (0.46) CYP1A2TDP1MAPTALDH1A1MMP2
SCHEMBL3396060 0.78 CYP1A2 (0.55) CYP1A2CASP6ATMTDP1MAPT
SCHEMBL2989578 0.78 CYP1A2 (0.69) CYP1A2ATMTDP1PDK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
EP-1943230-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2010-12-22 EP disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1943230-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 CYP1A2 393/4885CASP6 2726/4885FBP1 750/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 CYP1A2 460/4885CASP6 2387/4885FBP1 964/4885

“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.