SCHEMBL875231

SCHEMBL875231

O=C(O)c1ncc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
DHODH Q02127 1/20 0.41
KMO O15229 5/20 0.41
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TPMT P51580 1/20 0.35
MDM2 Q00987 1/20 0.35

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
Hydrochloric Acid SCHEMBL7687784 0.98 HCAR2 (0.41) HCAR2DHODHKMOKDM4EASPH
SCHEMBL7687780 0.84 KCNQ3 (0.36) HCAR2DHODHKMOLMNAL3MBTL1
SCHEMBL17480173 0.82 BACE1 (0.38) HCAR2DHODHBACE1BACE2S1PR1
SCHEMBL7910786 0.82 BACE1 (0.39) BACE1BACE2S1PR1S1PR3
SCHEMBL287761 0.79 LMNA (0.47) HCAR2LMNAL3MBTL1MEN1KMT2A
SCHEMBL107357 0.79 HCAR2 (0.45) HCAR2KMOKDM4EASPHKDM8
SCHEMBL31255330 0.78 ALDH1A1 (0.44) L3MBTL1BACE1BACE2S1PR1S1PR3
SCHEMBL12780507 0.78 BACE1 (0.36) LMNAL3MBTL1BACE1BACE2S1PR1
SCHEMBL14903859 0.78 NUDT1 (0.44) BACE1BACE2
SCHEMBL12350328 0.78 ALDH1A1 (0.44) L3MBTL1BACE1BACE2S1PR1S1PR3

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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 US claimed
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP claimed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US claimed
US-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US claimed
CN-102639516-A 3-amino-5-phenyl-5, 6-dihydro-2H- [1,4] oxazine derivatives HOFFMANN LA ROCHE 2012-08-15 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HCAR2 1261/4885DHODH 2256/4885KMO 3181/4885
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 HCAR2 1071/4885DHODH 1353/4885KMO 471/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP HCAR2 783/4885DHODH 879/4885KMO 626/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C HCAR2 640/4885DHODH 394/4885KMO 485/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 HCAR2 1071/4885DHODH 1353/4885KMO 471/4885

“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.