SCHEMBL4567997

SCHEMBL4567997

O=[N+]([O-])c1ccc2c(c1)N(CCCCCO)CCS2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ATM Q13315 1/20 0.35
PNMT P11086 1/20 0.35
CTSL P07711 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GFER P55789 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4567992 0.87 CNR1 (0.40) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL4567999 0.85 LMNA (0.40) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL499864 0.81 NOS3 (0.47) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL499103 0.81 NOS3 (0.49) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL499834 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL499833 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL4567995 0.79 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL10205445 0.79 NOS3 (0.41) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL2720820 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2CTSL
SCHEMBL499934 0.77 NOS3 (0.43) ALDH1A1KDM4ENOS3NOS1NOS2

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 2 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-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 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 (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-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 861/4885KDM4E 2340/4885NOS3 3/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 861/4885KDM4E 2340/4885NOS3 3/4885

“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.