SCHEMBL500413

SCHEMBL500413

O=C(O)N1CCC(N2CCSc3cc(Br)ccc32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
HSD17B3 P37058 1/20 0.36
DPP4 P27487 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.34
MBTD1 Q05BQ5 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNA7 P36544 2/20 0.31

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
SCHEMBL499651 0.86 GFER (0.34) L3MBTL3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL1578454 0.84 FPR2 (0.44) KDM4EMAPTTP53
SCHEMBL499828 0.83 NOTUM (0.46) L3MBTL3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL2674713 0.79 DPP4 (0.48) L3MBTL3L3MBTL1DPP4L3MBTL4MBTD1
SCHEMBL2675368 0.77 DPP4 (0.42) L3MBTL3L3MBTL1DPP4L3MBTL4MBTD1
SCHEMBL2675497 0.76 HDAC1 (0.42) L3MBTL3L3MBTL1DPP4L3MBTL4MBTD1
SCHEMBL499605 0.75 PABPC1 (0.38) L3MBTL1KDM4EALDH1A1KMT2ALMNA
SCHEMBL5637172 0.71 HTR2C (0.41) DRD2HTR2AHTR2C
SCHEMBL2014227 0.71 AVPR1A (0.33) DPP4KDM4EALDH1A1KMT2AATM
SCHEMBL2674792 0.71 DPP4 (0.50) L3MBTL3L3MBTL1DPP4L3MBTL4MBTD1

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
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
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP disclosed
US-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 US disclosed
WO-2010000073-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-07 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 (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 L3MBTL3 4759/4885L3MBTL1 4675/4885HSD17B3 583/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 L3MBTL3 4759/4885L3MBTL1 4675/4885HSD17B3 583/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 L3MBTL3 4759/4885L3MBTL1 4675/4885HSD17B3 583/4885

“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.