SCHEMBL3391673

SCHEMBL3391673

O=C(O)Cc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.40
CASP6 P55212 2/20 0.40
VCAM1 P19320 1/20 0.39
RECQL P46063 1/20 0.38
APEX1 P27695 1/20 0.38
FBP1 P09467 1/20 0.38

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
SCHEMBL297761 0.87 ATM (0.40) ATMTDP1ALDH1A1HIF1ALMNA
SCHEMBL31558555 0.86 CYP1A2 (0.45) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6583252 0.86 CYP1A2 (0.45) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL16418206 0.85 CYP1A2 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL16418207 0.85 CYP1A2 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6284211 0.81 GPR35 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6284204 0.81 GPR35 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6179100 0.80 TDP1 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL4201072 0.79 ATM (0.42) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL3138102 0.79 GPR35 (0.46) CYP1A2TDP1ALDH1A1LMNAMEN1

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 27 patents — showing the first 20. 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-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-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER INC. 2009-12-24 US disclosed
EP-1987025-B1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PROD INC (US) 2009-09-16 EP disclosed
EP-1987025-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pfizer Products Incorporated (US) 2008-11-05 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
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
WO-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed
US-6900231-B2 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6521663-B2 For oral administration or embedded or otherwise attached to medical devices for blood collection and/or treatment 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS 2002-05-23 US disclosed
WO-2002028825-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed
EP-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 EP disclosed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 EP 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 (5 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 393/4885ATM 2225/4885TDP1 2576/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 CYP1A2 460/4885ATM 2013/4885TDP1 2127/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT CYP1A2 3303/4885ATM 1077/4885TDP1 1398/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT CYP1A2 2955/4885ATM 864/4885TDP1 1312/4885
US-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS HRH2, HRH1, HRH4 CYP1A2 314/4885ATM 4680/4885TDP1 4740/4885

“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.