Sugi Predict

Sugi Predict / Compounds / SCHEMBL499402

SCHEMBL499402

SCHEMBL499402

N=C(Nc1cc2c(cc1F)SCCN2C1CCN(C(=O)O)CC1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 7/20 0.40
▸ NOS3 P29474 5/20 0.40
▸ NOS2 P35228 3/20 0.40
▸ PABPC1 P11940 2/20 0.35
▸ EIF4H Q15056 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL499854 0.88 NOS3 (0.39) NOS1NOS3NOS2MAPTSMN1; SMN2
SCHEMBL500005 0.86 NOS1 (0.54) NOS1NOS3NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL499830 0.86 NOS1 (0.54) NOS1NOS3NOS2
SCHEMBL499440 0.85 NOS3 (0.47) NOS1NOS3NOS2PABPC1EIF4H
SCHEMBL499605 0.82 PABPC1 (0.38) NOS1NOS3NOS2PABPC1EIF4H
SCHEMBL2675450 0.76 NOS1 (0.48) NOS1NOS3NOS2KMT2A
SCHEMBL2675308 0.74 NOS1 (0.49) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL499521 0.74 NOS3 (0.33) NOS1NOS3NOS2
SCHEMBL499365 0.73 NOS3 (0.44) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL500082 0.72 FPR2 (0.39) NOS1NOS3NOS2ALDH1A1MAPT

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 NOS1 2/4885NOS3 3/4885NOS2 1/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885

“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.