SCHEMBL499860

SCHEMBL499860

O=C(O)N1CCC(N2CCSc3cc(F)c([N+](=O)[O-])cc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 9/20 0.35
MAPT P10636 4/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1B1 P15121 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
SCHEMBL499867 0.85 DPP4 (0.41) GPR174MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL499521 0.82 NOS3 (0.33)
SCHEMBL499510 0.81 TDP1 (0.40) L3MBTL1ALDH1A1LMNAHTTTDP1
SCHEMBL1803344 0.72 CALCRL (0.34) GPR174MAPTL3MBTL3L3MBTL1ALDH1A1
SCHEMBL1803346 0.72 CALCRL (0.34) GPR174MAPTL3MBTL3L3MBTL1ALDH1A1
SCHEMBL499402 0.72 NOS1 (0.40) MAPTL3MBTL1POLBALDH1A1
SCHEMBL499984 0.67 MAPT (0.50) MAPTALDH1A1LMNAHTT
SCHEMBL500413 0.66 L3MBTL3 (0.36) MAPTL3MBTL3L3MBTL1POLBCYP2C9
SCHEMBL499651 0.66 GFER (0.34) MAPTL3MBTL3L3MBTL1CYP2C9CYP2C19
SCHEMBL499828 0.65 NOTUM (0.46) MAPTL3MBTL3L3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102143961-B Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2014-11-05 CN disclosed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
CN-102143961-A Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2011-08-03 CN disclosed
US-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 US 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 (3 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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GPR174 2850/4885MAPT 1622/4885L3MBTL3 4759/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GPR174 2850/4885MAPT 1622/4885L3MBTL3 4759/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GPR174 2850/4885MAPT 1622/4885L3MBTL3 4759/4885

“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.