SCHEMBL4567992

SCHEMBL4567992

CCCCCN1CCSc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
ACHE P22303 3/20 0.40
CNR2 P34972 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.37
ESPL1 Q14674 2/20 0.36
POLB P06746 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALOX15 P16050 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
SCHEMBL4567999 0.96 LMNA (0.40) CNR1ACHECNR2GAALMNA
SCHEMBL4567997 0.87 ALDH1A1 (0.37) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL499103 0.84 NOS3 (0.49) GAALMNAMAPTALDH1A1KDM4E
SCHEMBL499864 0.81 NOS3 (0.47) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL500190 0.79 NOS3 (0.39) GAALMNAMAPTALDH1A1MEN1
SCHEMBL500189 0.79 NOS3 (0.39) GAALMNAMAPTALDH1A1MEN1
SCHEMBL499371 0.79 NOS3 (0.50) GAALMNAALDH1A1NOS3NOS1
SCHEMBL2720820 0.79 ALDH1A1 (0.38) GAALMNAMAPTALDH1A1MEN1
SCHEMBL499935 0.78 NOS3 (0.43) GAALMNAMAPTALDH1A1MEN1
SCHEMBL499934 0.78 NOS3 (0.43) GAALMNAMAPTALDH1A1MEN1

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 4 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
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 CNR1 1040/4885ACHE 115/4885CNR2 968/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 CNR1 1040/4885ACHE 115/4885CNR2 968/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 CNR1 1040/4885ACHE 115/4885CNR2 968/4885

“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.