SCHEMBL361422

SCHEMBL361422

CC(NC(=O)CCl)(c1cc(Br)ccc1F)C(F)(F)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
GSTO1 P78417 1/20 0.33
AR P10275 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12272942 0.89 ALDH1A1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1173519 0.86 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1173300 0.84 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1173178 0.84 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1173180 0.84 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29914898 0.82 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL27159982 0.82 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL361134 0.81 USP28 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL14855685 0.79 PTGDR2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL2153808 0.77 SMN1; SMN2 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1

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 16 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
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 (8 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 ALDH1A1 2685/4885NPC1 28/4885RAB9A 1227/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885
US-20120238560-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C ALDH1A1 508/4885NPC1 1400/4885RAB9A 4204/4885

“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.