SCHEMBL2371163

SCHEMBL2371163

O=C(NC(=S)NC1(CCO)c2cc(I)ccc2Oc2ncc(Br)cc21)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.40
MEN1 O00255 9/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
STAT1 P42224 1/20 0.36
P2RX5 Q93086 1/20 0.36
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL2370733 0.82 KMT2A (0.43) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL2370552 0.72 MAPT (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2521686 0.72 BACE1 (0.41) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2370740 0.68 BACE1 (0.34)
SCHEMBL2370148 0.65 BACE1 (0.35)
SCHEMBL2371927 0.64 BACE1 (0.35)
SCHEMBL14808102 0.60 BACE1 (0.37) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2371084 0.60 BACE1 (0.37) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL28436333 0.60 KMT2A (1.00) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28434652 0.60 KMT2A (1.00) KMT2AMEN1CRHBPCRHR2NLRP3

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
US-9777019-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2017-10-03 US disclosed
US-9725469-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN, INC. (US) 2017-08-08 US disclosed
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2016-06-09 US disclosed
US-9296759-B2 Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2015-10-29 US disclosed
US-9012446-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-04-21 US disclosed
US-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. 2014-10-02 US disclosed
EP-2758406-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2014-07-30 EP disclosed
WO-2014078314-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-05-22 WO disclosed
US-20140045828-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2014-02-13 US disclosed
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP disclosed
US-8497264-B2 Amino-oxazines and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-07-30 US disclosed
WO-2013044092-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2013-03-28 WO disclosed
EP-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 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 (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-20140296226-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KMT2A 1777/4885MEN1 4702/4885CRHBP 4039/4885
US-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KMT2A 1780/4885MEN1 4675/4885CRHBP 4035/4885
US-20140045828-A1 AMINO-OXAZINES AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KMT2A 1912/4885MEN1 4719/4885CRHBP 4045/4885
US-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KMT2A 1912/4885MEN1 4719/4885CRHBP 4045/4885
US-20150307521-A1 AMINO-OXAZINE AND AMINO-DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 KMT2A 1777/4885MEN1 4702/4885CRHBP 4039/4885

“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.