SCHEMBL3833558

SCHEMBL3833558

CN1C(=O)OCc2c(F)c([N+](=O)[O-])cc(F)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.40
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3829520 0.77
SCHEMBL3826803 0.73 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3440759 0.66 GRIA1 (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10473548 0.65 MAPT (0.54) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL30977374 0.64 MAPT (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL6526548 0.64 TERT (0.41) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL6511388 0.64 MAPT (0.57) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL30206335 0.64 MAPT (0.57) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5945252 0.64 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26621688 0.64 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007093904-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-23 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 (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-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS HRH2, HRH1, HRH4 MAPT 4856/4885ALDH1A1 3351/4885SMN1; SMN2 4366/4885

“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.