SCHEMBL570670

SCHEMBL570670

COc1ccc2oc3ccc(Br)cc3c(=O)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.81
MAPT P10636 6/20 0.81
ALDH1A1 P00352 5/20 0.81
NPC1 O15118 5/20 0.81
RAB9A P51151 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
HPGD P15428 4/20 0.81
CASP3 P42574 1/20 0.81
SENP8 Q96LD8 1/20 0.81
SENP7 Q9BQF6 1/20 0.81
SENP6 Q9GZR1 1/20 0.81
MAOA P21397 2/20 0.69
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59

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
SCHEMBL8515446 0.97 KDM4E (0.75) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL21327477 0.92 NPC1 (0.73) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29619913 0.90 ALDH1A1 (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2161251 0.90 ALDH1A1 (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2588529 0.84 PIM1 (0.58) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29416622 0.84 PIM1 (0.58) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL7331388 0.83 KDM4E (0.86) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL16477276 0.82 MAPT (0.83) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL394209 0.82 MAOA (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL571171 0.82 MAPT (0.54) KDM4EMAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52089675-A None JP disclosed
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-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-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-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-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-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-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2016-06-09 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
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
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO disclosed
JP-S5289675-A PREPARATION OF XANTHONE COMPOUNDS TEIJIN LTD 1977-07-27 JP 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-20160159818-A1 Amino-Oxazine and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 KDM4E 1677/4885MAPT 761/4885ALDH1A1 654/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 3745/4885MAPT 788/4885ALDH1A1 392/4885

“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.