SCHEMBL15535558

SCHEMBL15535558

COC(=O)[C@](C)(N)c1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
DGAT1 O75907 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KCNN4 O15554 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 2/20 0.35
AAK1 Q2M2I8 2/20 0.34
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
APLNR P35414 1/20 0.33

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
SCHEMBL247425 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL11894382 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL569110 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL569109 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL4504501 0.84 PTGDR2 (0.43) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL2243013 0.83 ALDH1A1 (0.40) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL5034089 0.83 KCNN4 (0.37) SMN1; SMN2LMNAL3MBTL1KCNN4MAPT
SCHEMBL14889830 0.83 DGAT1 (0.42) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL1173288 0.83 DGAT1 (0.42) SMN1; SMN2KMT2ALMNADGAT1PTGDR2
SCHEMBL246150 0.83 DGAT1 (0.42) SMN1; SMN2KMT2ALMNADGAT1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 EP disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 US disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 US disclosed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 US disclosed
WO-2015091595-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 US disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 US disclosed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 US disclosed
EP-2855469-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
WO-2013174781-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 WO disclosed
WO-2013174781-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-28 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 SMN1; SMN2 611/4885KMT2A 3042/4885LMNA 1960/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 SMN1; SMN2 1540/4885KMT2A 2699/4885LMNA 2749/4885

“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.