SCHEMBL14903758

SCHEMBL14903758

CC(C)OC(=O)/C(=N/[S+]([O-])C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14889682 1.00 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14889681 1.00 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14889683 1.00 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL29640184 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL29457193 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL28890374 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL17313286 0.85 KMT2A (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL17784374 0.84 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14903705 0.84 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL14889692 0.84 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
EP-2788335-B1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES FOR THE TREATMENT OF DISORDERS IN WHICH BETA-SECRETASE IS INVOLVED JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 EP disclosed
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (US) 2014-12-11 US disclosed
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (US) 2014-12-11 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 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 (3 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3229/4885TP53 1497/4885SMN1; SMN2 222/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3229/4885TP53 1497/4885SMN1; SMN2 222/4885
US-20140364428-A1 5-(3-AMINOPHENYL)-5-ALKYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES BACE2, PSEN2, BACE1 ALDH1A1 3751/4885TP53 1221/4885SMN1; SMN2 227/4885

“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.