SCHEMBL499668

SCHEMBL499668

CN(CC(=O)N1CCSc2ccc([N+](=O)[O-])cc21)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL499667 1.00 NOTUM (0.36) NOTUMDRD2ALDH1A1MAPTLMNA
SCHEMBL499399 0.87 CYP1A2 (0.39) NOTUMDRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL499398 0.87 CYP1A2 (0.39) NOTUMDRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL499646 0.86 ALDH1A1 (0.37) DRD2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL499849 0.84 ALDH1A1 (0.37) NOTUMDRD2ALDH1A1MAPTLMNA
SCHEMBL499850 0.84 ALDH1A1 (0.37) NOTUMDRD2ALDH1A1MAPTLMNA
SCHEMBL4568001 0.82 MAPT (0.51) NOTUMDRD2ALDH1A1MAPTPOLB
SCHEMBL499384 0.82 DRD2 (0.42) NOTUMDRD2ALDH1A1MAPTLMNA
SCHEMBL499479 0.81 ALDH1A1 (0.39) NOTUMDRD2ALDH1A1MAPTKMT2A
SCHEMBL499461 0.81 CTSL (0.39) NOTUMDRD2ALDH1A1MAPTLMNA

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 3 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-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 (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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOTUM 1569/4885DRD2 3033/4885ALDH1A1 861/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOTUM 1569/4885DRD2 3033/4885ALDH1A1 861/4885

“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.