SCHEMBL1048728

SCHEMBL1048728

C[C@@](CO)(NC(=O)CCl)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PGR P06401 1/20 0.37
MAPK1 P28482 3/20 0.37
PKM P14618 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL1173300 0.81 ALDH1A1 (0.36) ARLMNAMAPTMAPK1RAB9A
SCHEMBL1173178 0.81 ALDH1A1 (0.36) ARLMNAMAPTMAPK1RAB9A
SCHEMBL1173180 0.81 ALDH1A1 (0.36) ARLMNAMAPTMAPK1RAB9A
SCHEMBL15643310 0.76 AR (0.39) ARKDM4ECYP3A4NPSR1LMNA
SCHEMBL15643312 0.76 AR (0.39) ARKDM4ECYP3A4NPSR1LMNA
SCHEMBL361647 0.76 ACP1 (0.40) LMNAHTTMAPTRAB9AALDH1A1
SCHEMBL27854031 0.76 ACP1 (0.40) LMNAHTTMAPTRAB9AALDH1A1
SCHEMBL25330872 0.74 LMNA (0.39) CYP3A4LMNACYP1A2MAPK1RAB9A
SCHEMBL361630 0.73 GAA (0.39) KDM4ECYP3A4LMNACYP1A2HTT
SCHEMBL1172988 0.73 GAA (0.39) KDM4ECYP3A4LMNACYP1A2HTT

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-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 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-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
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 (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-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C AR 4254/4885KDM4E 3548/4885CYP3A4 542/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C AR 4254/4885KDM4E 3548/4885CYP3A4 542/4885

“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.