SCHEMBL10324932

SCHEMBL10324932

[2H]C([2H])([2H])Oc1cnc(C#N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGDS O60760 1/20 0.33
SRC P12931 7/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 2/20 0.31
BCR P11274 2/20 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
SCHEMBL1006358 0.88 MAPT (0.46) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL361800 0.75 ALDH1A1 (0.39) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL27291556 0.74 NPC1 (0.42) ALDH1A1KDM4EPOLBNPC1MAPT
SCHEMBL362452 0.73 SLC22A12 (0.38) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL24267412 0.73 AR (0.40) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL11167087 0.72 ALDH1A1 (0.46) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL23879379 0.72 MAPT (0.45) ALDH1A1KDM4EPOLBNPC1MAPT
SCHEMBL24267288 0.72 SLC22A12 (0.35) SLC22A12ALDH1A1KDM4EPOLBNPC1
SCHEMBL14720971 0.71 SLC22A12 (0.36) SLC22A12ALDH1A1KDM4EPOLB
SCHEMBL26119376 0.71 AR (0.38) SLC22A12ALDH1A1KDM4EPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
EP-2663559-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2013-10-24 US disclosed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 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 (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-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders GRIK5, OTC, GRIN2C SLC22A12 410/4885ALDH1A1 348/4885KDM4E 3511/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP SLC22A12 777/4885ALDH1A1 2685/4885KDM4E 3316/4885

“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.