SCHEMBL9947667

SCHEMBL9947667

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.35
TSHR P16473 1/20 0.34
ESPL1 Q14674 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACP1 P24666 1/20 0.33
PTPRC P08575 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1530129 0.79 HTT (0.47) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL245787 0.78 PTPRC (0.54) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL360974 0.77 HTT (0.40) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL360973 0.77 HTT (0.40) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL363664 0.76 MEN1 (0.39) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL363665 0.76 MEN1 (0.39) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL13031098 0.76 HTT (0.41) ALDH1A1HTTCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL360561 0.75 KMT2A (0.38) ALDH1A1HTTCYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL360562 0.75 KMT2A (0.38) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL362835 0.74 VCAM1 (0.33) VCAM1HTTMEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US disclosed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-8338413-B1 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-12-25 US disclosed
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-11-29 US disclosed
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-09-20 US disclosed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO 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 (7 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP VCAM1 1799/4885ALDH1A1 2685/4885HTT 923/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C VCAM1 3670/4885ALDH1A1 508/4885HTT 80/4885

“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.