SCHEMBL5221514

SCHEMBL5221514

O=C1OCCC1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 7/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
SCD O00767 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10978870 0.87 TDP1 (0.45) TDP1POLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7473306 0.84 POLB (0.45) TDP1POLBALDH1A1SMN1; SMN2HPGD
SCHEMBL7472280 0.84 TDP1 (0.46) TDP1POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL7468663 0.81 POLB (0.46) TDP1POLBALDH1A1NPC1RAB9A
SCHEMBL7476840 0.81 POLB (0.46) TDP1POLBALDH1A1NPC1RAB9A
SCHEMBL17049181 0.81 POLB (0.46) TDP1POLBALDH1A1RECQLSMN1; SMN2
SCHEMBL7472335 0.81 POLB (0.46) TDP1POLBALDH1A1NPC1L3MBTL1
SCHEMBL18371959 0.81 POLB (0.46) TDP1POLBALDH1A1NPC1RAB9A
SCHEMBL17049183 0.81 POLB (0.46) TDP1POLBALDH1A1RECQLSMN1; SMN2
SCHEMBL18371960 0.81 POLB (0.46) TDP1POLBALDH1A1RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852427-A1 Biologically active 4H-Benzo [1,4] oxazin-3-ones Ortho-McNeil Pharmaceutical, Inc. (US) 2007-11-07 EP disclosed
EP-1280784-B1 BIOLOGICALLY ACTIVE 4H-BENZO 1,4|OXAZIN-3-ONES ORTHO MCNEIL PHARM INC (US) 2007-06-27 EP disclosed
US-6908908-B2 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-20030083329-A1 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-01 US disclosed
US-6555536-B2 Antiproliferative agents; antidiabetic agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-29 US disclosed
EP-1280784-A2 BIOLOGICALLY ACTIVE 4H-BENZO 1,4]OXAZIN-3-ONES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP disclosed
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-20020165228-A1 Biologically active 4H-benzo [1,4]oxazin-3-ones ORTH-MCNEIL PHARMACEUTICAL INC. 2002-11-07 US disclosed
WO-2001087862-A2 BIOLOGICALLY ACTIVE 4H-BENZO[1,4]OXAZIN-3-ONES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 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-20030083329-A1 Biologically active 4H-benzo [1,4] oxazin-3-ones PPARD, PPARA, PPARG TDP1 2947/4885POLB 1650/4885ALDH1A1 219/4885
US-20020165228-A1 Biologically active 4H-benzo [1,4]oxazin-3-ones PPARD, PPARA, PPARG TDP1 2947/4885POLB 1650/4885ALDH1A1 219/4885

“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.