SCHEMBL499828

SCHEMBL499828

O=C(O)N1CCC(N2CCSc3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
RYR2 Q92736 2/20 0.41
DHODH Q02127 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GFER P55789 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL3 Q96JM7 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
SCHEMBL500413 0.83 L3MBTL3 (0.36) KDM4EMAPTTP53L3MBTL1LMNA
SCHEMBL499651 0.83 GFER (0.34) KDM4EMAPTTP53RYR2L3MBTL1
SCHEMBL499529 0.82 USP30 (0.49) NOTUMKDM4ETP53MEN1KMT2A
SCHEMBL2676000 0.77 DRD3 (0.47) HPGDALDH1A1
SCHEMBL2676323 0.75 AGTR2 (0.49) NOTUMKDM4EMAPTSMN1; SMN2HPGD
SCHEMBL499605 0.74 PABPC1 (0.38) KDM4EMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL2675482 0.74 AGTR2 (0.54) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL499510 0.72 TDP1 (0.40) SMN1; SMN2L3MBTL1LMNAHPGDALDH1A1
SCHEMBL15524285 0.70 NOTUM (0.73) NOTUMKDM4EMAPTTP53RYR2
SCHEMBL28961218 0.68 SIGMAR1 (0.63) NOTUMKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NOTUM 1569/4885KDM4E 2340/4885MAPT 1622/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOTUM 1569/4885KDM4E 2340/4885MAPT 1622/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOTUM 1569/4885KDM4E 2340/4885MAPT 1622/4885

“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.