SCHEMBL571194

SCHEMBL571194

COc1cc2c(=O)c3cc(Br)ccc3oc2cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
PTGS2 P35354 1/20 0.47
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
CSNK2A1 P68400 1/20 0.45
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44

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
SCHEMBL570364 0.94 NPC1 (0.55) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2000612 0.84 GABRP (0.49) NPC1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2371483 0.81 NPC1 (0.46) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2588529 0.78 PIM1 (0.58) NPC1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29416622 0.78 PIM1 (0.58) NPC1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL570670 0.78 KDM4E (0.81) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12525253 0.76 MAOA (0.53) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2370587 0.76 MAPT (0.54) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1995343 0.76 GABRP (0.38) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL47040 0.75 PIM1 (0.51) NPC1KMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-9346827-B2 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use AMGEN INC. (US) 2016-05-24 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8962859-B2 Spiro-amino-imidazo-fused heterocyclic compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-24 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8957083-B2 Spiro-amino-imidazolone and spiro-amino-dihydro-pyrimidinone compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2015-02-17 US disclosed
US-8921363-B2 Derivatives of 1 H-isoindol-3-amine, 1 H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as beta-secretase inhibitors AMGEN INC. (US) 2014-12-30 US disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS 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

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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NPC1 1315/4885KMT2A 3694/4885MEN1 4155/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NPC1 1054/4885KMT2A 3308/4885MEN1 4037/4885

“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.