SCHEMBL362835

SCHEMBL362835

CC(C)(C)[S+]([O-])N[C@@](C)(C#N)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.33
ACP1 P24666 1/20 0.31
MEN1 O00255 1/20 0.31
GALR3 O60755 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL9947667 0.74 VCAM1 (0.39) VCAM1ACP1MEN1GALR3HTT
SCHEMBL1530129 0.71 HTT (0.47) ACP1MEN1GALR3HTTKMT2A
SCHEMBL13031098 0.69 HTT (0.41) ACP1MEN1GALR3HTTKMT2A
SCHEMBL360973 0.67 HTT (0.40) ACP1MEN1GALR3HTTKMT2A
SCHEMBL360974 0.67 HTT (0.40) ACP1MEN1GALR3HTTKMT2A
SCHEMBL788056 0.65 ALDH1A1 (0.47) ACP1
SCHEMBL29698750 0.65 ALDH1A1 (0.47) ACP1
SCHEMBL16713699 0.65 BACE1 (0.31)
Nitrogen SCHEMBL27917117 0.64 CYP19A1 (0.56) VCAM1ACP1MEN1HTTKMT2A
SCHEMBL219410 0.63 CYP19A1 (0.55) VCAM1ACP1MEN1HTTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG 2011-01-27 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 (1 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-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C VCAM1 3670/4885ACP1 4841/4885MEN1 2243/4885

“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.