SCHEMBL2370733

SCHEMBL2370733

O=C(NC(=S)NC1(CCO)c2cc(Br)ccc2Oc2cnc(Cl)cc21)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
NLRP3 Q96P20 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
STAT1 P42224 1/20 0.37
P2RX5 Q93086 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
ALOX12 P18054 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 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
SCHEMBL2371163 0.82 KMT2A (0.40) KMT2AMEN1CRHBPCRHR2NLRP3
Hydrochloric Acid SCHEMBL2370564 0.71 MAPT (0.39) KMT2AMEN1MAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2519314 0.71 BACE1 (0.42) KMT2AMEN1MAPTL3MBTL1RAB9A
SCHEMBL28436333 0.62 KMT2A (1.00) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL28434652 0.62 KMT2A (1.00) KMT2AMEN1CRHBPCRHR2NLRP3
SCHEMBL2371037 0.61 BACE1 (0.52) BACE1
SCHEMBL2371492 0.59 BACE1 (0.44) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL2371830 0.59 BACE1 (0.50) BACE1
SCHEMBL15468124 0.59 BACE1 (0.52) BACE1
SCHEMBL5450571 0.57 MAPT (0.76) KMT2AMEN1MAPTALDH1A1RAB9A

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.